| 16-O-Methylcafestol | PHUB000001 | 330.219494826 | C21H30O3 | Terpenoids | Diterpenoids | Not Available | | ![]() | BDVVNPOGDNWUOI-VVHJISIGSA-N | | [(1S,4S,12S,13R,16S,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-yl]methanol | 330.468 | 7.30e-03 g/l | 3.64 | 0.0 | Green robusta coffee / Roasted coffee / Robusta coffee | | Show Entry |
| 3'-O-beta-D-glucopyranosyl-2'-O-isovaleryl-2beta-(2-desoxy-atractyligenin)-beta-D-glucopyranoside | PHUB000002 | 728.361921103 | C36H56O15 | Terpenoids | Diterpenoids | Not Available | | ![]() | DOYDQNQLCHBFDK-KSEREDHQSA-N | | (1R,4R,5R,7R,9R,10S,13R,15S)-15-hydroxy-7-{[(3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid | 728.829 | 1.16e+00 g/l | -0.08 | 0.0 | Coffee | | Show Entry |
| Atractyligenin | PHUB000003 | 320.198759382 | C19H28O4 | Terpenoids | Diterpenoids | Not Available | | ![]() | YRHWUYVCCPXYMB-JIMOHSCASA-N | | (1R,4R,5R,7R,9R,10S,13R,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid | 320.429 | 7.44e-01 g/l | 1.80 | 0.0 | Coffee / Robusta coffee | | Show Entry |
| Atractyligenin (2-O-beta-glucopyranosyl-) | PHUB000004 | 480.272318248 | C26H40O8 | Terpenoids | Diterpenoids | Not Available | | ![]() | YEAZCNLETNYACR-DRBRKHBCSA-N | | (1R,4R,5R,7R,9R,10S,13R,15S)-7-{[(3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy}-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid | 480.598 | 1.02e+00 g/l | 0.46 | 0.0 | Coffee | | Show Entry |
| Atractyloside | PHUB000005 | 724.208174845 | C30H44O16S2 | Terpenoids | Diterpenoids | Not Available | | ![]() | FYQXODZRNSCOTR-QLKRWLHJSA-L | | (2R,3R,4R,5R,6R)-2-{[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-7-yl]oxy}-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-5-(sulfonatooxy)oxan-4-yl sulfate | 724.79 | 9.46e-01 g/l | 0.71 | 0.0 | Coffee / Roasted coffee | | Show Entry |
| Cafestol | PHUB000006 | 316.203844762 | C20H28O3 | Terpenoids | Diterpenoids | Not Available | (−)-cafestol; Cafesterol | ![]() | DNJVYWXIDISQRD-JTSSGKSMSA-N | | cafestol | 316.441 | 1.80e-02 g/l | 3.04 | 0.0 | Arabica coffee / Arabica coffee oil / Coffee / Robusta coffee | Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate) / Cafestol (2-hydroxy-) / Cafestol (2-hydroxy-,3,4-epoxide) / Cafestol glucuronide / Cafestol sulfate | Show Entry |
| Carboxyatractyloside | PHUB000007 | 768.198004085 | C31H44O18S2 | Terpenoids | Diterpenoids | Not Available | | ![]() | AQFATIOBERWBDY-VUQDFJQVSA-L | | (1S,9R,13R,15R)-15-hydroxy-7-{[6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4,5-bis(sulfooxy)oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5,5-dicarboxylate | 768.8 | 1.62e+00 g/l | -0.14 | 0.0 | Coffee | | Show Entry |
| Carnosol | PHUB000008 | 330.183109317 | C20H26O4 | Terpenoids | Diterpenoids | Not Available | Picrosalvin | ![]() | XUSYGBPHQBWGAD-PJSUUKDQSA-N | | (1R,8S,10S)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one | 330.424 | 3.95e-02 g/l | 4.35 | 0.0 | Basil / Common oregano / Common sage / Common thyme / Rosemary / Rosemary tea / White sage (Salvia apiana) | | Show Entry |
| Ineketone | PHUB000009 | 318.219494826 | C20H30O3 | Terpenoids | Diterpenoids | Not Available | | ![]() | BWRPYSJNBVBIRP-FLFBIERCSA-N | | (4aS,4bS,7S,10aR)-7-ethenyl-5,10a-dihydroxy-1,1,4b,7-tetramethyl-3,4,4a,5,6,10-hexahydro-2H-phenanthren-9-one | 318.457 | 4.91e-02 g/l | 2.71 | 0.0 | Rice | | Show Entry |
| Kahweol | PHUB000010 | 314.188194697 | C20H26O3 | Terpenoids | Diterpenoids | Not Available | | ![]() | JEKMKNDURXDJAD-HWUKTEKMSA-N | | kahweol | 314.425 | 2.01e-02 g/l | 2.97 | 0.0 | Arabica coffee / Coffee / Robusta coffee | Kahweol glucuronide / Kahweol sulfate | Show Entry |
| Asparagoside A | PHUB000011 | 578.381868699 | C33H54O8 | Terpenoids | Triterpenoids | Saponins | (3beta,5beta,25S)-Spirostan-3-yl beta-D-glucopyranoside; Sarsasaponin monoglucoside | ![]() | ZNEIIZNXGCIAAL-TXUJEBAWSA-N | | asparagoside A | 578.787 | 5.50e-03 g/l | 2.79 | 0.0 | Asparagus | | Show Entry |
| Betulin | PHUB000012 | 442.38108085 | C30H50O2 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | FVWJYYTZTCVBKE-ROUWMTJPSA-N | | betulin | 442.728 | 3.21e-04 g/l | 5.34 | 0.0 | Broad bean / Common hazelnut | | Show Entry |
| Capsicoside A | PHUB000013 | 1422.651465113 | C63H106O35 | Terpenoids | Triterpenoids | Saponins | | ![]() | WUSQCDWYDVFLMN-CIHABUNJSA-N | | capsicoside A | 1423.506 | 1.59e+01 g/l | -1.70 | 0.0 | Bell pepper (Capsicum annuum, mild varieties) / Paprika | | Show Entry |
| Cucurbitacin C | PHUB000014 | 560.334918506 | C32H48O8 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | DGIGXLXLGBAJJN-TUOUHCSQSA-N | | cucurbitacin C | 560.728 | 1.07e-02 g/l | 3.19 | 0.0 | Cucumber | | Show Entry |
| Nuatigenin | PHUB000015 | 430.308309832 | C27H42O4 | Terpenoids | Triterpenoids | Saponins | | ![]() | NELZMZLNTYWIPD-MLBSDYKWSA-N | | nuatigenin | 430.629 | 4.54e-03 g/l | 3.20 | 0.0 | Oat | | Show Entry |
| Officinalisnin I | PHUB000016 | 920.498080227 | C45H76O19 | Terpenoids | Triterpenoids | Saponins | | ![]() | SORUXVRKWOHYEO-YGNOLRTQSA-N | | officinalisnin I | 921.084 | 7.46e-01 g/l | -0.49 | 0.0 | Asparagus | | Show Entry |
| Sarsasapogenin | PHUB000017 | 416.329045277 | C27H44O3 | Terpenoids | Triterpenoids | Saponins | Parigenin | ![]() | GMBQZIIUCVWOCD-WWASVFFGSA-N | | sarsasapogenin | 416.646 | 3.28e-05 g/l | 4.52 | 0.0 | Asparagus | | Show Entry |
| Squalene | PHUB000018 | 410.39125161 | C30H50 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | YYGNTYWPHWGJRM-AAJYLUCBSA-N | | squalene | 410.73 | 5.02e-04 g/l | 8.64 | 0.0 | Olive oil / Wheat germ | | Show Entry |
| Trigonelloside C | PHUB000019 | 1048.545424345 | C51H84O22 | Terpenoids | Triterpenoids | Saponins | Asparasaponin I | ![]() | LVTJOONKWUXEFR-YFQJTNJMSA-N | | (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-16-{[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 1049.211 | 8.96e-01 g/l | -0.22 | 0.0 | Fenugreek | | Show Entry |
| 2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran | PHUB000020 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | Ocimen quintoxide | ![]() | LPEYLSKLVYWOEQ-UHFFFAOYSA-N | | 5-(but-2-en-2-yl)-2,2-dimethyloxolane | 154.253 | 4.38e-01 g/l | 3.82 | 0.0 | Grape | | Show Entry |
| 2-vinyl-2-methyl-tetrahydrofuran-5-one | PHUB000021 | 126.068079562 | C7H10O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | QESPSAHXYXIGBG-UHFFFAOYSA-N | | 5-ethenyl-5-methyloxolan-2-one | 126.155 | 9.66e+00 g/l | 1.49 | 0.0 | Grape / Grape wine | | Show Entry |
| 3,7-dimethyloct-1-en-3,6,7-triol | PHUB000022 | 188.141244504 | C10H20O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | CNYFGLAROLNGDG-UHFFFAOYSA-N | | 2,6-dimethyloct-7-ene-2,3,6-triol | 188.267 | 2.96e+01 g/l | 0.51 | 0.0 | Grape / Grape wine | | Show Entry |
| 3,7-dimethylocta-1,5-dien-3,7-diol | PHUB000023 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | QEOHJVNDENHRCH-UHFFFAOYSA-N | | 2,6-dimethylocta-3,7-diene-2,6-diol | 170.252 | 2.32e+00 g/l | 1.62 | 0.0 | Grape / Grape wine | | Show Entry |
| 3,7-dimethylocta-1,7-dien-3,6-diol | PHUB000024 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | HZHJGFRDKJPQPV-UHFFFAOYSA-N | | 2,6-dimethylocta-1,7-diene-3,6-diol | 170.252 | 4.55e+00 g/l | 1.28 | 0.0 | Grape / Grape wine | | Show Entry |
| 3,7-dimethylocta-1-en-3,7-diol | PHUB000025 | 172.146329884 | C10H20O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | SRPFYGUVQUDURC-UHFFFAOYSA-N | | 2,6-dimethyloct-7-ene-2,6-diol | 172.268 | 3.28e+00 g/l | 1.65 | 0.0 | Grape / Grape wine | | Show Entry |
| Amarogentin | PHUB000026 | 586.168641026 | C29H30O13 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | DBOVHQOUSDWAPQ-WTONXPSSSA-N | | (2S,3R,4S,5S,6R)-2-{[(3S,4R,4aS)-4-ethenyl-8-oxo-3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate | 586.546 | 3.94e-01 g/l | 1.89 | 0.0 | Gentian | | Show Entry |
| Camphene | PHUB000027 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | CRPUJAZIXJMDBK-UHFFFAOYSA-N | | camphene | 136.238 | 6.21e-02 g/l | 4.56 | 0.0 | Rosemary | Camphene-2,10-glycol / Camphene-10,2-glycol / 6-exo-Hydroxycamphene / 7-Hydroxycamphene / 3-Hydroxytricyclene / 10-hydroxytricyclene | Show Entry |
| Camphor | PHUB000028 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | Bornan-2-one; Camphan-2-one | ![]() | DSSYKIVIOFKYAU-XVKPBYJWSA-N | | (+-)-camphor | 152.237 | 8.80e-01 g/l | 2.85 | 0.0 | Cinnamon / Common sage / Rosemary | | Show Entry |
| Carane | PHUB000029 | 138.14085058 | C10H18 | Terpenoids | Monoterpenoids | Not Available | | ![]() | BWRHOYDPVJPXMF-UHFFFAOYSA-N | | carane | 138.254 | 3.89e-03 g/l | 4.02 | 0.0 | Cheese | Carane 9,10-dicarboxylic acid | Show Entry |
| Carene | PHUB000030 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | Car-3-ene; Carene (3-); Carene (delta-3-); Isodiprene | ![]() | KALFVDDBBPRATR-UHFFFAOYSA-N | | carene | 136.238 | 1.78e-01 g/l | 4.17 | 0.0 | Grape wine / Mandarin orange (Clementine, Tangerine) / Pepper | m-mentha-4,6-dien-8-ol / Cymen-8-ol (m-) / 3-Carene-9-ol / 3-Carene-9-carboxylic acid / 3-carene-9,10-dicarboxylic acid / 3-caren-10-ol-9-carboxylic acid | Show Entry |
| Carvacrol | PHUB000031 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | 2-p-cymenol; Isothymol | ![]() | RECUKUPTGUEGMW-UHFFFAOYSA-N | | carvacrol | 150.221 | 4.70e-01 g/l | 3.20 | 0.0 | Common oregano / Common thyme / Hop marjoram / Nigella (Nigella sativa) / Summer savory / Sweet marjoram / Thyme (Thymus capitatus ) / Winter savory | 2,3-Dihydroxy-p-cymene / 2-(-3-Hydroxy-4-methylphenyl)propan-2-ol / 2-(-3-Hydroxy-4-methylphenyl)propan-1-ol / 2-Hydroxymethyl-5-(1-methylethyl)phenol / 2-(3-Hydroxy-4-methylphenyl)propionic acid / 2-Hydroxymethyl-4-(1-methylethyl)benzoic acid / 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol | Show Entry |
| Carvomenthenol (4-) | PHUB000032 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | Terpineol (4-) | ![]() | WRYLYDPHFGVWKC-SNVBAGLBSA-N | | (1S)-1-isopropyl-4-methylcyclohex-3-en-1-ol | 154.253 | 2.50e+00 g/l | 2.81 | 0.0 | Apple | | Show Entry |
| Carvone | PHUB000033 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | Carvol | ![]() | ULDHMXUKGWMISQ-UHFFFAOYSA-N | | carvone | 150.221 | 1.16e+00 g/l | 2.77 | 0.0 | Caraway / Dill / Mandarin orange (Clementine, Tangerine) | Carveol / Carveol glucuronide / Dihydrocarveol / Carvonic acid / Dihydrocarvonic acid / Uroterpenolone | Show Entry |
| Cineol (1,8-) | PHUB000034 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | Cajeputol; Eucalyptol | ![]() | WEEGYLXZBRQIMU-UHFFFAOYSA-N | | eucalyptol | 154.253 | 2.25e-02 g/l | 3.36 | 0.0 | Cardamom / Common sage / Nutmeg / Pepper / Rosemary / Sweet basil / Sweet bay | | Show Entry |
| Citronellal | PHUB000035 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | 3,7-Dimethyloct-6-enal | ![]() | NEHNMFOYXAPHSD-UHFFFAOYSA-N | | citronella | 154.253 | 3.59e-01 g/l | 3.25 | 0.0 | Grape / Lemon / Lemon grass | | Show Entry |
| Citronellol | PHUB000036 | 156.151415264 | C10H20O | Terpenoids | Monoterpenoids | Not Available | 3,7-dimethyloct-6-en-1-ol | ![]() | QMVPMAAFGQKVCJ-UHFFFAOYSA-N | | citronellol, (+-)- | 156.269 | 8.46e-01 g/l | 3.48 | 0.0 | Grape / Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Citronellyl acetate | PHUB000037 | 198.161979948 | C12H22O2 | Terpenoids | Monoterpenoids | Not Available | 3,7-Dimethyl-6-octen-1-yl acetate | ![]() | JOZKFWLRHCDGJA-UHFFFAOYSA-N | | citronellyl acetate | 198.306 | 6.85e-02 g/l | 4.13 | 0.0 | Ginger / Grape | | Show Entry |
| Cuminaldehyde | PHUB000038 | 148.088815006 | C10H12O | Terpenoids | Monoterpenoids | Not Available | Cumaldehyde; Cuminal | ![]() | WTWBUQJHJGUZCY-UHFFFAOYSA-N | | cuminaldehyde | 148.205 | 1.46e-01 g/l | 2.73 | 0.0 | Cumin | Cuminaldehyde metabolite 3 / Cuminaldehyde metabolite 4 / Cuminaldehyde metabolite 5 / Isopropylbenzoic acid (p-) / 1-Hydroxyisopropylbenzoic acid (p-) | Show Entry |
| Cymene-p | PHUB000039 | 134.109550451 | C10H14 | Terpenoids | Monoterpenoids | Not Available | Cymene; Dolcymen; Isopropyltoluene | ![]() | HFPZCAJZSCWRBC-UHFFFAOYSA-N | | cymene | 134.222 | 1.69e-02 g/l | 4.17 | 0.0 | Common thyme / Grape wine | Cymen-9-ol (p-) / Tolylpropionic acid (alpha-,p-) / Cymen-8-ol (p-) / Tolyl-alpha-hydroxylpropionic acid (alpha-) / Tolylacrylic acid (alpha-) / Isopropylbenzoic acid (p-) / 1-Hydroxyisopropylbenzoic acid (p-) | Show Entry |
| Damascenone-beta | PHUB000040 | 190.1357652 | C13H18O | Terpenoids | Monoterpenoids | Not Available | (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one; Damascenone | ![]() | POIARNZEYGURDG-FNORWQNLSA-N | | damascenone | 190.286 | 1.91e-01 g/l | 4.02 | 0.0 | Apple / Grape / Grape wine / Lichee / Pineapple | | Show Entry |
| Gentiopicrin | PHUB000041 | 356.110732224 | C16H20O9 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | DUAGQYUORDTXOR-GPQRQXLASA-N | | gentiopicroside | 356.327 | 1.59e+01 g/l | -1.01 | 0.0 | Gentian | | Show Entry |
| Geranial | PHUB000042 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | Citral A; Citral-trans | ![]() | WTEVQBCEXWBHNA-JXMROGBWSA-N | | α-citral | 152.237 | 4.00e-01 g/l | 3.37 | 0.0 | Ginger / Grape / Grape wine / Lemon / Sweet orange | | Show Entry |
| Geranic acid (trans-) | PHUB000043 | 168.115029755 | C10H16O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | ZHYZQXUYZJNEHD-VQHVLOKHSA-N | | geranic acid | 168.236 | 1.22e+00 g/l | 2.72 | 0.0 | Grape / Grape wine | | Show Entry |
| Geraniol | PHUB000044 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | Geraniol-beta; Lemonol | ![]() | GLZPCOQZEFWAFX-JXMROGBWSA-N | | geraniol | 154.253 | 1.37e+00 g/l | 2.89 | 0.0 | Grape / Grape wine / Lichee | 8-carboxygeraniol / Hildebrand's acids / 3-hydroxycitronelic acid / Geranic acid / 8-hydroxygeraniol | Show Entry |
| Geraniol (Hydroxy-) | PHUB000045 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | PREUOUJFXMCMSJ-TXFIJWAUSA-N | | 8-hydroxygeraniol | 170.252 | 3.04e+00 g/l | 1.62 | 0.0 | Grape / Grape wine | | Show Entry |
| Geranoate (trans-methyl) | PHUB000046 | 182.13067982 | C11H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | ACOBBFVLNKYODD-CSKARUKUSA-N | | methyl (2E)-3,7-dimethylocta-2,6-dienoate | 182.263 | 3.76e-01 g/l | 3.67 | 0.0 | Grape | | Show Entry |
| Geranyl acetate | PHUB000047 | 196.146329884 | C12H20O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | HIGQPQRQIQDZMP-DHZHZOJOSA-N | | geranyl acetate | 196.29 | 1.90e-01 g/l | 4.11 | 0.0 | Grape / Grape wine | | Show Entry |
| Geranyl acetone | PHUB000048 | 194.167065328 | C13H22O | Terpenoids | Monoterpenoids | Not Available | | ![]() | HNZUNIKWNYHEJJ-FMIVXFBMSA-N | | geranylacetone | 194.318 | 9.42e-02 g/l | 4.59 | 0.0 | Apple | | Show Entry |
| Hotrienol | PHUB000049 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | 3,7-Dimethylocta-1,5,7-trien-3-ol | ![]() | ZJIQIJIQBTVTDY-VOTSOKGWSA-N | | (5E)-3,7-dimethylocta-1,5,7-trien-3-ol | 152.237 | 3.12e-01 g/l | 2.81 | 0.0 | Grape / Grape wine / Tea | | Show Entry |
| Isoestragole | PHUB000050 | 148.088815006 | C10H12O | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Anethole | ![]() | RUVINXPYWBROJD-ONEGZZNKSA-N | | anethole | 148.205 | 1.77e-01 g/l | 3.40 | 0.0 | Apple | | Show Entry |
| Limonene | PHUB000051 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | Cajeputen; Cinene; Kautschin | ![]() | XMGQYMWWDOXHJM-UHFFFAOYSA-N | | limonene, (+)- | 136.238 | 4.57e-01 g/l | 4.50 | 0.0 | Apple / Dill / Grape / Grape wine / Lemon / Mandarin orange (Clementine, Tangerine) / Nutmeg / Orange juice / Pepper / Sweet orange | Carvone / Perillyl alcohol / Carveol / Limonene-1,2-diol / Limonene-8,9-diol / Limonene-8,9-diol glucuronide / Limonene-10-ol / Limonene-10-ol-glucuronide / Perillic acid / Perillic acid glucuronide / Perillyl glycine / Perillic acid-8,9-diol / Dihydroperillic acid (trans-) / Dihydroperillic acid (cis-) / Dihydroperillic acid glucuronide (trans-) / Dihydroperillic acid glucuronide (cis-) / p-mentha-1,8-dien-carboxylic-acid / Limonene-1,2-epoxide / Limonene-1,2-glycol / Limonene-8,9-epoxide | Show Entry |
| Linalool | PHUB000052 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | Linalol | ![]() | CDOSHBSSFJOMGT-UHFFFAOYSA-N | | linalool, (+-)- | 154.253 | 4.76e-01 g/l | 2.68 | 0.0 | Apple / Apricot / Cinnamon / Common thyme / Coriander / Grape / Grape wine / Lichee / Mandarin orange (Clementine, Tangerine) / Orange juice / Peach / Sweet basil / Sweet bay / Sweet cherry | | Show Entry |
| Linalool (8-hydroxydihydro-) | PHUB000053 | 172.146329884 | C10H20O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | GFOMTORUAWAGGU-UHFFFAOYSA-N | | 2,6-dimethyloct-7-ene-1,6-diol | 172.268 | 2.62e+00 g/l | 1.98 | 0.0 | Grape / Grape wine | | Show Entry |
| Linalool (cis-8-hydroxy-) | PHUB000054 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | NSMIMJYEKVSYMT-TWGQIWQCSA-N | | (2Z)-2,6-dimethylocta-2,7-diene-1,6-diol | 170.252 | 4.55e+00 g/l | 1.35 | 0.0 | Grape / Grape wine | | Show Entry |
| Linalool (trans-8-hydroxy-) | PHUB000055 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | NSMIMJYEKVSYMT-RMKNXTFCSA-N | | (6E)-8-hydroxylinalool | 170.252 | 4.55e+00 g/l | 1.35 | 0.0 | Grape / Grape wine | | Show Entry |
| linalool oxide (cis-anhydrofuran) | PHUB000056 | 166.1357652 | C11H18O | Terpenoids | Monoterpenoids | Not Available | cis-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran | ![]() | WHAUGOYPBNDJOT-GHMZBOCLSA-N | | (2S,5R)-2-ethenyl-2,5-dimethyl-5-(prop-1-en-2-yl)oxolane | 166.264 | 7.48e-02 g/l | 3.58 | 0.0 | Grape / Grape wine | | Show Entry |
| linalool oxide (cis-furan) | PHUB000057 | 184.146329884 | C11H20O2 | Terpenoids | Monoterpenoids | Not Available | cis-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuran | ![]() | SUOCCLKULOHEBG-GHMZBOCLSA-N | | 2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol | 184.279 | 3.52e-01 g/l | 1.99 | 0.0 | Grape / Grape wine | | Show Entry |
| Linalool oxide (cis-pyran) | PHUB000058 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | cis-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyran | ![]() | BCTBAGTXFYWYMW-WCBMZHEXSA-N | | (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol | 170.252 | 1.58e+00 g/l | 1.68 | 0.0 | Grape / Grape wine | | Show Entry |
| linalool oxide (trans-anhydrofuran) | PHUB000059 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | ttrans-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran | ![]() | XIGFNCYVSHOLIF-VHSXEESVSA-N | | (2S,5S)-2-ethenyl-2-methyl-5-(prop-1-en-2-yl)oxolane | 152.237 | 1.37e-01 g/l | 3.13 | 0.0 | Grape / Grape wine | | Show Entry |
| linalool oxide (trans-furan) | PHUB000060 | 184.146329884 | C11H20O2 | Terpenoids | Monoterpenoids | Not Available | trans-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuran | ![]() | SUOCCLKULOHEBG-MNOVXSKESA-N | | 2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol | 184.279 | 3.52e-01 g/l | 1.99 | 0.0 | Grape / Grape wine | | Show Entry |
| Linalool oxide (trans-pyran) | PHUB000061 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | trans-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyran | ![]() | BCTBAGTXFYWYMW-WPRPVWTQSA-N | | (3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol | 170.252 | 1.58e+00 g/l | 1.68 | 0.0 | Grape / Grape wine | | Show Entry |
| Menthol | PHUB000062 | 156.151415264 | C10H20O | Terpenoids | Monoterpenoids | Not Available | Peppermint camphor | ![]() | NOOLISFMXDJSKH-KXUCPTDWSA-N | | menthol | 156.269 | 5.58e-01 g/l | 2.68 | 0.0 | Peppermint | Menthane-3,7-diol (p-) / Menthane (3-Hydroxy-p-, 7-carboxylic acid) / Methane (3,8-dihydroxy-7-carboxylic acid) / Menthane-3,7,8-triol (p-) / Menthane-3,8-diol (p-) / Menthol glucuronide / Menthane (3,8-oxy-p-, 7-carboxylic acid) / Menthane (3,8-dihydroxy-p-, 7-carboxylic acid) / Menthane-3,9-diol (p-) / Menthane (3-hydroxy-p-, 9-carboxylic acid) / Menthane-3,8-diol glucuronide (p-) | Show Entry |
| Menthone | PHUB000063 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | Menthone (L-) | ![]() | NFLGAXVYCFJBMK-BDAKNGLRSA-N | | (-)-menthone | 154.253 | 2.65e-01 g/l | 2.65 | 0.0 | Peppermint | | Show Entry |
| Menthyl acetate | PHUB000064 | 198.161979948 | C12H22O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | XHXUANMFYXWVNG-ADEWGFFLSA-N | | menthyl acetate | 198.306 | 1.88e-02 g/l | 3.54 | 0.0 | Peppermint | | Show Entry |
| Monotropein | PHUB000065 | 390.116211528 | C16H22O11 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | HPWWQPXTUDMRBI-NJPMDSMTSA-N | | monotropein | 390.341 | 5.02e+01 g/l | -1.91 | 0.0 | American cranberry / Bilberry | | Show Entry |
| Monotropein (6,7-dihydro-) | PHUB000066 | 392.131861593 | C16H24O11 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | PMUMTYKKCFIWAK-NJPMDSMTSA-N | | (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-4-carboxylic acid | 392.357 | 9.30e+01 g/l | -2.07 | 0.0 | American cranberry | | Show Entry |
| Myrcene | PHUB000067 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | Myrcene-beta | ![]() | UAHWPYUMFXYFJY-UHFFFAOYSA-N | | α-myrcene | 136.238 | 7.75e-02 g/l | 4.32 | 0.0 | Apple / Grape / Grape wine / Mandarin orange (Clementine, Tangerine) / Parsley | Limonene / Limonene-8,9-diol / Myrcene-3(10)-glycol / Myrcene (3-Hydroxy, 10-carboxylic acid) / Myrcene-1,2-glycol / Myrcene (2-hydroxy, 1-carboxylic acid) | Show Entry |
| Myrcenol | PHUB000068 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | IEVYLQISZQFFGA-YFHOEESVSA-N | | myrcenol | 152.237 | 5.96e-01 g/l | 2.69 | 0.0 | Grape | | Show Entry |
| Neral | PHUB000069 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | Citral B; Citral-cis | ![]() | WTEVQBCEXWBHNA-YFHOEESVSA-N | | neral | 152.237 | 4.00e-01 g/l | 3.37 | 0.0 | Grape / Grape wine / Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Nerol | PHUB000070 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | GLZPCOQZEFWAFX-YFHOEESVSA-N | | nerol | 154.253 | 1.37e+00 g/l | 2.89 | 0.0 | Grape / Grape wine | | Show Entry |
| Ocimene-beta | PHUB000071 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | Allocimene; Ocimene | ![]() | XJPBRODHZKDRCB-CSKARUKUSA-N | | ocimene | 136.238 | 7.71e-02 g/l | 4.25 | 0.0 | Apple / Mandarin orange (Clementine, Tangerine) / Sweet basil | | Show Entry |
| Ocimenol-cis | PHUB000072 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | IJFKZRMIRAVXRK-CLFYSBASSA-N | | (5Z)-2,6-dimethylocta-5,7-dien-2-ol | 154.253 | 5.74e-01 g/l | 3.10 | 0.0 | Grape | | Show Entry |
| Ocimenol-trans | PHUB000073 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | IJFKZRMIRAVXRK-VQHVLOKHSA-N | | (5E)-2,6-dimethylocta-5,7-dien-2-ol | 154.253 | 5.74e-01 g/l | 3.10 | 0.0 | Grape | | Show Entry |
| Oleuropein | PHUB000074 | 540.18429109 | C25H32O13 | Terpenoids | Miscellaneous terpenoids | Not Available | | ![]() | RFWGABANNQMHMZ-AGKURNLASA-N | | | 540.518 | | | 0.0 | Olive, black / Olive, green | | Show Entry |
| Perillyl alcohol | PHUB000075 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | NDTYTMIUWGWIMO-UHFFFAOYSA-N | | (-)-perillylalcohol | 152.237 | 1.90e+00 g/l | 2.50 | 0.0 | | Limonene | Show Entry |
| Perillyl aldehyde | PHUB000076 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | Perillaldehyde | ![]() | RUMOYJJNUMEFDD-UHFFFAOYSA-N | | (+)-perillaldehyde | 150.221 | 5.81e-01 g/l | 2.97 | 0.0 | Mandarin orange (Clementine, Tangerine) | Isopropylbenzoic acid (p-) / Perillic acid / Perillyl aldehyde metabolite 1 / Perillyl aldehyde metabolite 2 / Perillyl aldehyde metabolite 4 | Show Entry |
| Phellandrene-alpha | PHUB000077 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | p-Mentha-1,5-diene | ![]() | OGLDWXZKYODSOB-UHFFFAOYSA-N | | (+-)-α phellandrene | 136.238 | 1.33e-01 g/l | 4.29 | 0.0 | Dill / Sweet bay | | Show Entry |
| Phellandrene-beta | PHUB000078 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | p-Mentha-1(7),2-diene | ![]() | LFJQCDVYDGGFCH-UHFFFAOYSA-N | | β phellandrene | 136.238 | 3.44e-02 g/l | 3.98 | 0.0 | Cheese / Parsley | | Show Entry |
| Pinene-alpha | PHUB000079 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | 2-Pinene; Pinene | ![]() | GRWFGVWFFZKLTI-UHFFFAOYSA-N | | α pinene | 136.238 | 1.58e-01 g/l | 3.66 | 0.0 | Mandarin orange (Clementine, Tangerine) / Nutmeg / Orange juice / Pepper / Sweet bay | Verbenol (trans-) / Myrtenol / Myrtenic acid | Show Entry |
| Pinene-beta | PHUB000080 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | Nopinene | ![]() | WTARULDDTDQWMU-UHFFFAOYSA-N | | β-PINENE | 136.238 | 6.37e-02 g/l | 3.94 | 0.0 | Common sage / Cumin / Fennel / Ginger / Mandarin orange (Clementine, Tangerine) / Nutmeg / Pepper / Rosemary / Sweet bay | | Show Entry |
| Rose oxide (cis) | PHUB000081 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | CZCBTSFUTPZVKJ-NXEZZACHSA-N | | (2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane | 154.253 | 3.74e-01 g/l | 3.30 | 0.0 | Grape / Grape wine / Lichee | | Show Entry |
| Rose oxide (trans) | PHUB000082 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | CZCBTSFUTPZVKJ-ZJUUUORDSA-N | | (2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane | 154.253 | 3.74e-01 g/l | 3.30 | 0.0 | Grape / Grape wine | | Show Entry |
| Sabinene | PHUB000083 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | NDVASEGYNIMXJL-NXEZZACHSA-N | | (+)-sabinene | 136.238 | 6.40e-02 g/l | 3.04 | 0.0 | Mandarin orange (Clementine, Tangerine) / Nutmeg / Orange juice / Pepper | | Show Entry |
| Sabinene-hydrate (cis) | PHUB000084 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | KXSDPILWMGFJMM-GUBZILKMSA-N | | (1R,2S,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol | 154.253 | 8.10e-01 g/l | 2.12 | 0.0 | Sweet marjoram | | Show Entry |
| Sabinene-hydrate (trans) | PHUB000085 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | KXSDPILWMGFJMM-AEJSXWLSSA-N | | (1R,2R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol | 154.253 | 8.10e-01 g/l | 2.12 | 0.0 | Sweet marjoram | | Show Entry |
| Santolinatriene | PHUB000086 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | ZQGDEJAPCUGBRH-UHFFFAOYSA-N | | 3-ethenyl-2,5-dimethylhexa-1,4-diene | 136.238 | 9.81e-02 g/l | 3.76 | 0.0 | Cheese | | Show Entry |
| Terpinen-4-ol | PHUB000087 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | WRYLYDPHFGVWKC-UHFFFAOYSA-N | | terpinen-4-ol | 154.253 | 2.50e+00 g/l | 2.81 | 0.0 | Grape / Grape wine / Mandarin orange (Clementine, Tangerine) / Sweet marjoram | | Show Entry |
| Terpinene-alpha | PHUB000088 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | YHQGMYUVUMAZJR-UHFFFAOYSA-N | | terpinene | 136.238 | 4.98e-01 g/l | 4.51 | 0.0 | Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Terpinene-gamma | PHUB000089 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | YKFLAYDHMOASIY-UHFFFAOYSA-N | | α terpinene | 136.238 | 5.35e-01 g/l | 4.36 | 0.0 | Cumin / Grape / Mandarin orange (Clementine, Tangerine) / Orange juice | | Show Entry |
| Terpineol-alpha | PHUB000090 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | WUOACPNHFRMFPN-UHFFFAOYSA-N | | terpineol | 154.253 | 1.56e+00 g/l | 3.17 | 0.0 | Grape / Grape wine / Mandarin orange (Clementine, Tangerine) / Orange juice / Peach | | Show Entry |
| Terpineol-gamma | PHUB000091 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | NNRLDGQZIVUQTE-UHFFFAOYSA-N | | 1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol | 154.253 | 3.68e+00 g/l | 2.68 | 0.0 | Cheese | | Show Entry |
| Terpinolene | PHUB000092 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | MOYAFQVGZZPNRA-UHFFFAOYSA-N | | terpinolene | 136.238 | 1.38e+00 g/l | 3.82 | 0.0 | Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Thujan-3-ol | PHUB000093 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | (+)-Thujol | ![]() | IKXCCPWTSIENLL-UHFFFAOYSA-N | | 5-isopropyl-2-methylbicyclo[3.1.0]hexan-1-ol | 154.253 | 8.48e-01 g/l | 2.21 | 0.0 | Cheese | | Show Entry |
| Thujene-alpha | PHUB000094 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | KQAZVFVOEIRWHN-NXEZZACHSA-N | | (-)-α-thujene | 136.238 | 1.63e-01 g/l | 4.07 | 0.0 | Common thyme / Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Thujone | PHUB000095 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | Thujan-3-one | ![]() | USMNOWBWPHYOEA-UHFFFAOYSA-N | | 3-isothujone | 152.237 | 4.38e-01 g/l | 1.74 | 0.0 | Common sage | | Show Entry |
| Thymol | PHUB000096 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | 3-p-cymenol; Timol | ![]() | MGSRCZKZVOBKFT-UHFFFAOYSA-N | | thymol | 150.221 | 6.43e-01 g/l | 3.16 | 0.0 | Common oregano / Common thyme / Nigella (Nigella sativa) | 2,5-dihydroxy-p-cymene / 2-(2-hydroxy-4-methylphenyl)propan-1-ol / 5-hydroxymethyl-2-(1-methylethyl)phenol / 3-hydroxy-4-(1-methylethyl)benzoic acid / 2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-ol / 2-(2-hydroxy-4-methylphenyl)propionic acid | Show Entry |
| Tricyclene | PHUB000097 | 136.125200515 | C10H16 | Terpenoids | Monoterpenoids | Not Available | | ![]() | RRBYUSWBLVXTQN-UHFFFAOYSA-N | | tricyclene | 136.238 | 1.08e-02 g/l | 3.43 | 0.0 | Cheese | | Show Entry |
| Vitispirane | PHUB000098 | 192.151415264 | C13H20O | Terpenoids | Monoterpenoids | Not Available | | ![]() | DUPDJVDPPBFBPL-UHFFFAOYSA-N | | 2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene | 192.302 | 2.14e-02 g/l | 4.25 | 0.0 | Grape / Grape wine | | Show Entry |
| Absinthin | PHUB000099 | 496.282489008 | C30H40O6 | Terpenoids | Sesquiterpenoids | Not Available | Absynthin | ![]() | PZHWYURJZAPXAN-JJLFJVKSSA-N | | | 496.644 | | | 0.0 | Absinthe / Vermouth | | Show Entry |
| Achillin | PHUB000100 | 246.12559444 | C15H18O3 | Terpenoids | Sesquiterpenoids | Not Available | Santolin | ![]() | BJPSSVHNEGMBDQ-OAACRXHESA-N | | achillin | 246.306 | 3.93e-01 g/l | 2.18 | 0.0 | Chamomile tea | | Show Entry |
| African-2(6)-ene | PHUB000101 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | OAETXESJELUDBP-UHFFFAOYSA-N | | 1a,4,6,6-tetramethyl-1H,2H,3H,4H,5H,7H,7aH-cyclopropa[e]azulene | 204.357 | 1.26e-02 g/l | 5.45 | 0.0 | Cheese | | Show Entry |
| Aromadandrene | PHUB000102 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | 1,1,2-trimethyl-5-methylidene-decahydro-1H-cyclopropa[e]azulene; Aromadendrene ((+)-) | ![]() | ITYNGVSTWVVPIC-UHFFFAOYSA-N | | 1,1,2-trimethyl-5-methylidene-octahydro-1aH-cyclopropa[e]azulene | 204.357 | 2.37e-03 g/l | 3.70 | 0.0 | Cheese | | Show Entry |
| Bisabolen-beta | PHUB000103 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene | ![]() | XZRVRYFILCSYSP-UHFFFAOYSA-N | | β-bisabolene | 204.357 | 8.41e-03 g/l | 6.01 | 0.0 | Ginger | | Show Entry |
| Bourbonene-beta | PHUB000104 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | (1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[5.3.0.0^{2,6}]decane | ![]() | YIRAHEODBQONHI-ZQNQSHIBSA-N | | β-bourbonene | 204.357 | 2.41e-03 g/l | 3.47 | 0.0 | Grape | | Show Entry |
| Cadinene-beta | PHUB000105 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | USDOQCCMRDNVAH-KKUMJFAQSA-N | | β-cadinene | 204.357 | 1.05e-02 g/l | 5.29 | 0.0 | Grape | | Show Entry |
| Cadinene-delta | PHUB000106 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | FUCYIEXQVQJBKY-ZFWWWQNUSA-N | | delta-cadinene | 204.357 | 4.15e-02 g/l | 4.92 | 0.0 | Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Cadinene-gamma | PHUB000107 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | WRHGORWNJGOVQY-RBSFLKMASA-N | | gamma-cadinene | 204.357 | 5.94e-03 g/l | 4.48 | 0.0 | Cheese | | Show Entry |
| Cadinol | PHUB000108 | 222.198365457 | C15H26O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | LHYHMMRYTDARSZ-UHFFFAOYSA-N | | α-cadinol | 222.372 | 5.57e-02 g/l | 3.52 | 0.0 | Grape | | Show Entry |
| Calamenene | PHUB000109 | 202.172150708 | C15H22 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | PGTJIOWQJWHTJJ-STQMWFEESA-N | | (1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene | 202.341 | 1.57e-04 g/l | 5.60 | 0.0 | Grape | | Show Entry |
| Capsidiol | PHUB000110 | 236.177630013 | C15H24O2 | Terpenoids | Sesquiterpenoids | Not Available | (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol1be | ![]() | BXXSHQYDJWZXPB-OKNSCYNVSA-N | | capsidiol | 236.355 | 8.47e-01 g/l | 2.70 | 0.0 | Bell pepper (Capsicum annuum, mild varieties) | | Show Entry |
| Caryophyllen-beta | PHUB000111 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | Caryophyllen; Caryophyllen (trans-) | ![]() | NPNUFJAVOOONJE-GFUGXAQUSA-N | | caryophyllene | 204.357 | 3.01e-03 g/l | 5.35 | 0.0 | Grape / Mandarin orange (Clementine, Tangerine) / Pepper | 14-Hydroxycaryophyllene-5,6-oxide / Caryophyllene-5,6-oxide-2,12-glycol | Show Entry |
| Cedrene-beta | PHUB000112 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | DYLPEFGBWGEFBB-DPORPMIOSA-N | | (2R,5S,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.0¹,⁵]undecane | 204.357 | 1.31e-03 g/l | 4.50 | 0.0 | Cheese | | Show Entry |
| Copaene-alpha | PHUB000113 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | VLXDPFLIRFYIME-XIQJJJERSA-N | | (1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene | 204.357 | 1.81e-03 g/l | 3.75 | 0.0 | Grape / Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Cubebene-alpha | PHUB000114 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | XUEHVOLRMXNRKQ-ANLGBYQQSA-N | | | 204.357 | 1.84e-03 g/l | 3.88 | 0.0 | Cheese | | Show Entry |
| Curcumene-alpha | PHUB000115 | 202.172150708 | C15H22 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | VMYXUZSZMNBRCN-UHFFFAOYSA-N | | curcumene | 202.341 | 9.91e-04 g/l | 6.15 | 0.0 | Ginger | | Show Entry |
| Deoxylactucin (8-) | PHUB000116 | 260.104858995 | C15H16O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | NIYXMGSLECQTQT-BPNCWPANSA-N | | 8-deoxylactucin | 260.289 | 1.05e+00 g/l | 0.99 | 0.0 | Chicory / Lettuce | | Show Entry |
| Elemene-gamma | PHUB000117 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | BQSLMQNYHVFRDT-LSDHHAIUSA-N | | (1S,2S)-1-ethenyl-1-methyl-2-(prop-1-en-2-yl)-4-(propan-2-ylidene)cyclohexane | 204.357 | 9.10e-03 g/l | 5.09 | 0.0 | Cheese | | Show Entry |
| Farnesal | PHUB000118 | 220.182715393 | C15H24O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | YHRUHBBTQZKMEX-UHFFFAOYSA-N | | farnesal | 220.356 | 3.29e-02 g/l | 5.56 | 0.0 | | Farnesol | Show Entry |
| Farnesene-alpha | PHUB000119 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | CXENHBSYCFFKJS-UHFFFAOYSA-N | | α-farnesene | 204.357 | 5.19e-03 g/l | 5.70 | 0.0 | Apple / Grape / Pear | | Show Entry |
| Farnesene-beta | PHUB000120 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | JSNRRGGBADWTMC-UHFFFAOYSA-N | | β-farnesene | 204.357 | 3.38e-03 g/l | 5.70 | 0.0 | Apple / Grape / Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Farnesol | PHUB000121 | 222.198365457 | C15H26O | Terpenoids | Sesquiterpenoids | Not Available | 3,7,11-trimethyldodeca-2,6,10-trien-1-ol | ![]() | CRDAMVZIKSXKFV-UHFFFAOYSA-N | | farnesol | 222.372 | 5.87e-02 g/l | 4.84 | 0.0 | Apple | Farnesal / 3,7-Dimethyl-2-octaen-1,8-dioic acid / 3,7-Dimethyl-6-octaen-1,8-dioic acid / 3,7-Dimethyl-2,7-decadien-1,10-dioic acid / 3,7-Dimethyl-octan-1,8-dioic acid / 3,7-Dimethyl-7-decaen-1,10-dioic acid / Farnesol glucuronide / 12-Hydroxyfarnesol / Hydroxyfarnesol glucuronide / Farnesoic acid / Farnesyl monophosphate / Farnesyl pyrophosphate / Hildebrand's acids | Show Entry |
| Germacrene B | PHUB000122 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | GAIBLDCXCZKKJE-YZJXYJLZSA-N | | germacrene D | 204.357 | 2.16e-03 g/l | 5.64 | 0.0 | Grape | | Show Entry |
| Guaiene | PHUB000123 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | ADIDQIZBYUABQK-RWMBFGLXSA-N | | guaiene | 204.357 | 2.34e-02 g/l | 5.80 | 0.0 | Grape | | Show Entry |
| Gurjunene-alpha | PHUB000124 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | SPCXZDDGSGTVAW-XIDUGBJDSA-N | | (-)-α-gurjunene | 204.357 | 1.23e-02 g/l | 4.45 | 0.0 | Cheese | | Show Entry |
| Gurjunene-beta | PHUB000125 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | IRCZVRWQUNZGSH-DKTYCGPESA-N | | (1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-octahydro-1aH-cyclopropa[e]azulene | 204.357 | 2.40e-03 g/l | 3.75 | 0.0 | Cheese | | Show Entry |
| Gurjunene-gamma | PHUB000126 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | DUYRYUZIBGFLDD-ZXCYLUJYSA-N | | (3aR,4R,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene | 204.357 | 5.51e-03 g/l | 5.73 | 0.0 | Cheese | | Show Entry |
| Heliangin | PHUB000127 | 362.172938557 | C20H26O6 | Terpenoids | Sesquiterpenoids | Not Available | Heliangine | ![]() | DZTWAOVNNLDWNH-AUWKULLQSA-N | | heliangin | 362.422 | 2.96e-01 g/l | 1.45 | 0.0 | Jerusalem artichoke / Spinach / Sunflower | | Show Entry |
| Himachalen-alpha | PHUB000128 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | ZJSIKVDEOWWVEH-UHFFFAOYSA-N | | α-himachalene | 204.357 | 2.62e-03 g/l | 5.13 | 0.0 | Apple | | Show Entry |
| Himachalen-gamma | PHUB000129 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | PUWNTRHCKNHSAT-UHFFFAOYSA-N | | gamma-himachalene | 204.357 | 8.46e-03 g/l | 5.57 | 0.0 | Cheese | | Show Entry |
| Humulene-alpha | PHUB000130 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | Caryophyllene-alpha; Didymocarpene; Humulene | ![]() | FAMPSKZZVDUYOS-HRGUGZIWSA-N | | humulene | 204.357 | 1.08e-02 g/l | 6.07 | 0.0 | Grape | | Show Entry |
| Ipomoeamarone | PHUB000131 | 250.156894568 | C15H22O3 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | WOFDWNOSFDVCDF-UHFFFAOYSA-N | | 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one | 250.338 | 4.08e-02 g/l | 3.39 | 0.0 | Sweet potato | | Show Entry |
| Isocaryophyllene | PHUB000132 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | Caryophyllene-gamma | ![]() | NPNUFJAVOOONJE-FLFDDASRSA-N | | isocaryophyllene | 204.357 | 3.01e-03 g/l | 5.35 | 0.0 | Cloves | | Show Entry |
| Lactucin | PHUB000133 | 276.099773615 | C15H16O5 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | VJQAFLAZRVKAKM-UHFFFAOYSA-N | | lactucin | 276.288 | 6.84e+00 g/l | -0.28 | 0.0 | Chicory / Lettuce | | Show Entry |
| Lactupicrin | PHUB000134 | 410.136553048 | C23H22O7 | Terpenoids | Sesquiterpenoids | Not Available | Intibin | ![]() | UMVSOHBRAQTGQI-XGARDCMYSA-N | | lactupicrin | 410.422 | 8.77e-02 g/l | 1.99 | 0.0 | Chicory / Lettuce | | Show Entry |
| Longifolene | PHUB000135 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | Junipene; Kiromatsuene | ![]() | PDSNLYSELAIEBU-UHFFFAOYSA-N | | longifolene | 204.357 | 1.26e-03 g/l | 4.65 | 0.0 | Cheese | 14-hydroxyisolongifoldaldehyde | Show Entry |
| Lubimin | PHUB000136 | 236.177630013 | C15H24O2 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | CEVNHRPKRNTGKO-ZSAUSMIDSA-N | | lubimin | 236.355 | 1.15e-01 g/l | 2.38 | 0.0 | Damaged potato | | Show Entry |
| Matricin | PHUB000137 | 306.146723808 | C17H22O5 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | SYTRJRUSWMMZLV-UHFFFAOYSA-N | | 9-hydroxy-3,6,9-trimethyl-2-oxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate | 306.358 | 8.96e-01 g/l | 1.84 | 0.0 | Chamomile tea | | Show Entry |
| Muurolene-alpha | PHUB000138 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | QMAYBMKBYCGXDH-UHFFFAOYSA-N | | cadinene | 204.357 | 1.03e-02 g/l | 5.00 | 0.0 | Grape | | Show Entry |
| Muurolene-gamma | PHUB000139 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | WRHGORWNJGOVQY-UHFFFAOYSA-N | | 4-isopropyl-6-methyl-1-methylidene-3,4,4a,7,8,8a-hexahydro-2H-naphthalene | 204.357 | 5.94e-03 g/l | 4.48 | 0.0 | Cheese | | Show Entry |
| Nobilin | PHUB000140 | 346.178023937 | C20H26O5 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | QFINJHBXXJQKPB-QLDBJWRKSA-N | | 9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate | 346.423 | 9.95e-02 g/l | 2.15 | 0.0 | Chamomile tea | | Show Entry |
| Nootkatone | PHUB000141 | 218.167065328 | C15H22O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | WTOYNNBCKUYIKC-JMSVASOKSA-N | | nootkatone | 218.34 | 2.88e-02 g/l | 3.89 | 0.0 | Grapefruit | Nootkatone-13,14-diol | Show Entry |
| Patchoulen-beta | PHUB000142 | 190.172150708 | C14H22 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | ZPKGZYDIXRIBAI-UHFFFAOYSA-N | | 5,11,11-trimethyltricyclo[6.2.1.0²,⁶]undec-2(6)-ene | 190.33 | 3.06e-02 g/l | 4.84 | 0.0 | Cheese | | Show Entry |
| Phytuberin | PHUB000143 | 294.183109317 | C17H26O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | YARAJYKHRCCDLG-XLNGHYISSA-N | | phytuberin | 294.391 | 8.24e-03 g/l | 3.66 | 0.0 | Damaged potato | | Show Entry |
| Rishitin | PHUB000144 | 222.161979948 | C14H22O2 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | XSCYYIVXGBKTOC-GZZJDILISA-N | | rishitin | 222.328 | 1.51e+00 g/l | 1.91 | 0.0 | Damaged potato / Tomato | | Show Entry |
| Rotundone | PHUB000145 | 218.167065328 | C15H22O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | NUWMTBMCSQWPDG-UHFFFAOYSA-N | | 3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one | 218.34 | 1.11e-01 g/l | 4.04 | 0.0 | Grape wine / Pepper | | Show Entry |
| Selinene-beta | PHUB000146 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | YOVSPTNQHMDJAG-QLFBSQMISA-N | | β-selinene | 204.357 | 3.28e-03 g/l | 5.26 | 0.0 | Grape | | Show Entry |
| Sesquiphellandrene | PHUB000147 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | PHWISBHSBNDZDX-UHFFFAOYSA-N | | 3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohex-1-ene | 204.357 | 2.03e-03 g/l | 5.71 | 0.0 | Ginger | | Show Entry |
| Sinensal-alpha | PHUB000148 | 218.167065328 | C15H22O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | PFSTYGCNVAVZBK-JQGMZEBDSA-N | | α-sinensal | 218.34 | 1.62e-02 g/l | 5.06 | 0.0 | Sweet orange | | Show Entry |
| Sinensal-beta | PHUB000149 | 218.167065328 | C15H22O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | NOPLRNXKHZRXHT-YFVJMOTDSA-N | | β-sinensal | 218.34 | 6.92e-03 g/l | 4.81 | 0.0 | Sweet orange | | Show Entry |
| Theaspirane | PHUB000150 | 194.167065328 | C13H22O | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | GYUZHTWCNKINPY-YPMHNXCESA-N | | (2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene | 194.318 | 3.19e-02 g/l | 4.29 | 0.0 | Grape | | Show Entry |
| Trans-Muurola-4(14),5-diene | PHUB000151 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | RNDFUOKDULDZPR-AMIUJLCOSA-N | | (1R,4S)-4-isopropyl-1-methyl-6-methylidene-2,3,4,7,8,8a-hexahydro-1H-naphthalene | 204.357 | 5.45e-03 g/l | 5.48 | 0.0 | Cheese | | Show Entry |
| Valencene | PHUB000152 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | QEBNYNLSCGVZOH-NFAWXSAZSA-N | | valencene | 204.357 | 2.87e-03 g/l | 5.86 | 0.0 | Orange juice | | Show Entry |
| Ylangene | PHUB000153 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | 8-isocopaene | ![]() | VLXDPFLIRFYIME-MWHZVNNOSA-N | | α-ylangene | 204.357 | 1.81e-03 g/l | 3.75 | 0.0 | Grape | | Show Entry |
| Zingiberene | PHUB000154 | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | KKOXKGNSUHTUBV-LSDHHAIUSA-N | | zingiberene | 204.357 | 6.31e-03 g/l | 5.77 | 0.0 | Ginger | | Show Entry |
| 2-alpha-hydroxy-3-beta-{[(2Z)-3-phenyl-1-oxo-2-propenyl]oxy}olean-12-en-28-oic acid | PHUB000155 | 602.397124839 | C39H54O5 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | QYNZDAXHBDWWFS-UDUPULDKSA-N | | 11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2Z)-3-phenylprop-2-enoyl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid | 602.856 | 2.18e-04 g/l | 7.65 | 0.0 | Apple | | Show Entry |
| Alphitolic acid | PHUB000156 | 470.339609961 | C30H46O4 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | (1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7 | ![]() | YVFUWFRLVWFNLF-LAYMWGLGSA-N | | (1R,2S,5S,8R,14R,16R,17R)-16,17-dihydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-ene-5-carboxylic acid | 470.694 | 4.27e-03 g/l | 5.67 | 0.0 | Jujube | | Show Entry |
| Alphitolic acid (3-O-cis-p-coumaroyl-) | PHUB000157 | 618.392039459 | C39H54O6 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | AQHKWALTXQHZKK-XNTDXEJSSA-N | | 16-hydroxy-17-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-5-carboxylic acid | 618.855 | 5.24e-04 g/l | 6.29 | 0.0 | Jujube | | Show Entry |
| Alphitolic acid (3-O-trans-p-coumaroyl-) | PHUB000158 | 618.392039459 | C39H54O6 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | AQHKWALTXQHZKK-XNTDXEJSSA-N | | 16-hydroxy-17-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-5-carboxylic acid | 618.855 | 5.24e-04 g/l | 6.29 | 0.0 | Jujube | | Show Entry |
| Avenacin A-1 | PHUB000159 | 1093.545758697 | C55H83NO21 | Terpenoids | Triterpenoids | Saponins | | ![]() | SYXUBXTYGFJFEH-PFTGTSLFSA-N | | avenacin A 1 | 1094.255 | 3.14e-01 g/l | 1.30 | 0.0 | Oat | | Show Entry |
| Avenacin B-2 | PHUB000160 | 1048.524294976 | C54H80O20 | Terpenoids | Triterpenoids | Saponins | | ![]() | RTMPAEPNXWUCGZ-ITFDNFFVSA-N | | avenacin B-2 | 1049.214 | 1.13e-01 g/l | 1.75 | 0.0 | Oat | | Show Entry |
| Azukisaponin III | PHUB000161 | 810.440171425 | C42H66O15 | Terpenoids | Triterpenoids | Saponins | | ![]() | FXYSHYMHTAACSV-UHFFFAOYSA-N | | 6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid | 810.975 | 9.20e-02 g/l | 2.24 | 0.0 | Azuki bean | | Show Entry |
| Barringtogenol C | PHUB000162 | 490.36582471 | C30H50O5 | Terpenoids | Triterpenoids | Saponins | Jegosapogenol; Theasapogenol B | ![]() | AYDKOFQQBHRXEW-AAUPIIFFSA-N | | barringtogenol C | 490.725 | 3.16e-02 g/l | 3.77 | 0.0 | Tea | | Show Entry |
| Betulinic acid | PHUB000163 | 456.360345406 | C30H48O3 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2; Betulic acid; Gratiolone; Mairin; Melaleucin; Platanol; Platanolic acid | ![]() | QGJZLNKBHJESQX-UOTMTCHLSA-N | | (1R,2R,5S,8R,14R,17S)-17-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid | 456.711 | 2.04e-04 g/l | 5.34 | 0.0 | Common oregano / Jujube | | Show Entry |
| Betulonic acid | PHUB000164 | 454.344695341 | C30H46O3 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | (1R,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a | ![]() | SLJTWDNVZKIDAU-FLPHSFLBSA-N | | (1R,2R,8R,9R,10R,13R,14R,19R)-1,2,14,18,18-pentamethyl-17-oxo-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-5-carboxylic acid | 454.695 | 1.39e-04 g/l | 5.81 | 0.0 | Jujube | | Show Entry |
| Colubrinic acid | PHUB000165 | 470.339609961 | C30H46O4 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | Zizyberanalic acid | ![]() | SLWJVQQNDGLXTK-IMBMMKFRSA-N | | (1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icosane-5-carboxylic acid | 470.694 | 5.96e-04 g/l | 5.08 | 0.0 | Jujube | | Show Entry |
| Erythrodiol | PHUB000166 | 442.38108085 | C30H50O2 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | PSZDOEIIIJFCFE-OSQDELBUSA-N | | erythrodiol | 442.728 | 3.81e-04 g/l | 6.75 | 0.0 | Olive oil | | Show Entry |
| Ginsenoside Re | PHUB000167 | 946.5501158 | C48H82O18 | Terpenoids | Triterpenoids | Saponins | | ![]() | PWAOOJDMFUQOKB-WCZZMFLVSA-N | | ginsenoside RE | 947.166 | 8.12e-01 g/l | 0.60 | 0.0 | | Ginsenoside Rg1 / Ginsenoside Rh1 / Ginsenoside Rg2 / Ginsenoside F1 / Protopanaxatriol | Show Entry |
| Ginsenoside Rf | PHUB000168 | 800.492206998 | C42H72O14 | Terpenoids | Triterpenoids | Saponins | | ![]() | UZIOUZHBUYLDHW-XUBRWZAZSA-N | | ginsenoside RF | 801.024 | 4.20e-01 g/l | 1.13 | 0.0 | Ginseng | | Show Entry |
| Ginsenoside Rg1 | PHUB000169 | 800.492206998 | C42H72O14 | Terpenoids | Triterpenoids | Saponins | | ![]() | YURJSTAIMNSZAE-HHNZYBFYSA-N | | ginsenoside | 801.024 | 3.04e-01 g/l | 1.00 | 0.0 | | Ginsenoside Re | Show Entry |
| Glycyrrhetinic acid | PHUB000170 | 470.339609961 | C30H46O4 | Terpenoids | Triterpenoids | Saponins | Glycyrrhetic acid; Glycyrrhetic acid (alpha-); Glycyrrhetin | ![]() | MPDGHEJMBKOTSU-YKLVYJNSSA-N | | jintan | 470.694 | 1.72e-03 g/l | 5.45 | 0.0 | | Glycyrrhizin | Show Entry |
| Glycyrrhizin | PHUB000171 | 822.403785916 | C42H62O16 | Terpenoids | Triterpenoids | Saponins | | ![]() | LPLVUJXQOOQHMX-QWBHMCJMSA-N | | glycyrrhizin | 822.942 | 5.45e-02 g/l | 2.78 | 0.0 | Liquorice | Glycyrrhetinic acid / Glycyrrhetinic acid 3-O-glucuronide / Glycyrrhetinic acid 30-O-glucuronide / Glycyrrhetinic acid 3-O-sulfate / Glycyrrhetinic acid 3-O-sulfate-30-glucuronide | Show Entry |
| Limonin | PHUB000172 | 470.194067926 | C26H30O8 | Terpenoids | Triterpenoids | Limonoids | Citrolimonin; Dictamnolactone; Evodin; Obaculactone | ![]() | KBDSLGBFQAGHBE-MSGMIQHVSA-N | | limonin | 470.518 | 7.99e-02 g/l | 3.47 | 0.0 | Grapefruit / Sour orange / Sweet orange | | Show Entry |
| Limonin (17-beta-D-glucoside-) | PHUB000173 | 650.257456032 | C32H42O14 | Terpenoids | Triterpenoids | Limonoids | Glucosyl-limonin | ![]() | FYIKIBQJAJRKQM-WNCNYDOCSA-N | | limonin 17-β-D-glucopyranoside | 650.674 | 1.01e+00 g/l | 1.07 | 0.0 | Grapefruit / Mandarin orange (Clementine, Tangerine) / Sweet orange | | Show Entry |
| lupeol | PHUB000174 | 426.38616623 | C30H50O | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | MQYXUWHLBZFQQO-KIIHVYTKSA-N | | | 426.729 | | | 0.0 | Peanut | | Show Entry |
| Maslinic acid | PHUB000175 | 472.355260026 | C30H48O4 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | MDZKJHQSJHYOHJ-LLICELPBSA-N | | maslinic acid | 472.71 | 4.04e-03 g/l | 6.06 | 0.0 | Apple | | Show Entry |
| maslinic acid (3-O-cis-p-Coumaroyl-) | PHUB000176 | 618.392039459 | C39H54O6 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | KWLOAKAXMOYBRK-GDNBJRDFSA-N | | 11-hydroxy-10-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid | 618.855 | 5.24e-04 g/l | 7.15 | 0.0 | Jujube | | Show Entry |
| maslinic acid (3-O-trans-p-Coumaroyl-) | PHUB000177 | 618.392039459 | C39H54O6 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | KWLOAKAXMOYBRK-GDNBJRDFSA-N | | 11-hydroxy-10-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid | 618.855 | 5.24e-04 g/l | 7.15 | 0.0 | Jujube | | Show Entry |
| Medicagenic acid | PHUB000178 | 502.329439201 | C30H46O6 | Terpenoids | Triterpenoids | Saponins | | ![]() | IDGXIXSKISLYAC-WNTKNEGGSA-N | | (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid | 502.692 | 6.10e-03 g/l | 4.15 | 0.0 | Alfalfa | | Show Entry |
| Nomilin | PHUB000179 | 514.220282675 | C28H34O9 | Terpenoids | Triterpenoids | Limonoids | | ![]() | KPDOJFFZKAUIOE-WNGDLQANSA-N | | nomilin | 514.571 | 4.49e-02 g/l | 3.59 | 0.0 | Sour orange | | Show Entry |
| Obacunone | PHUB000180 | 454.199153306 | C26H30O7 | Terpenoids | Triterpenoids | Limonoids | Casimirolide | ![]() | MAYJEFRPIKEYBL-OASIGRBWSA-N | | obacunone | 454.519 | 2.37e-02 g/l | 3.76 | 0.0 | Sour orange | | Show Entry |
| Oleanolic acid | PHUB000181 | 456.360345406 | C30H48O3 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | MIJYXULNPSFWEK-GTOFXWBISA-N | | oleanolic acid | 456.711 | 8.17e-04 g/l | 7.09 | 0.0 | Common oregano / Jujube / White sage (Salvia apiana) | Oleanolic acid (Hydroxyl-) / Oleanolic acid (Dihydroxyl-) | Show Entry |
| Oleanolic acid 3-O-glucuronide | PHUB000182 | 632.392433383 | C36H56O9 | Terpenoids | Triterpenoids | Saponins | | ![]() | IUCHKMAZAWJNBJ-RCYXVVTDSA-N | | oleanolic acid 3-O-glucuronide | 632.835 | 6.84e-03 g/l | 4.66 | 0.0 | Common beetroot | | Show Entry |
| Oleanonic acid | PHUB000183 | 454.344695341 | C30H46O3 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | FMIMFCRXYXVFTA-FUAOEXFOSA-N | | (4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1H-picene-4a-carboxylic acid | 454.695 | 5.32e-04 g/l | 7.15 | 0.0 | Jujube | | Show Entry |
| Phaseoloside D | PHUB000184 | 1380.656156569 | C65H104O31 | Terpenoids | Triterpenoids | Saponins | | ![]() | CVMFAOXHGIFMQV-BVXNWBLKSA-N | | phaseoloside D | 1381.516 | 1.88e+00 g/l | 0.39 | 0.0 | Common bean | | Show Entry |
| Soyasapogenol B | PHUB000185 | 1268.603727071 | C59H96O29 | Terpenoids | Triterpenoids | Saponins | | ![]() | XFXHYKZIZSNVSQ-TZRAUYBZSA-N | | soyasaponin A1 | 1269.388 | 4.19e+00 g/l | -0.66 | 0.0 | Soy bean | | Show Entry |
| Soyasaponin A1 | PHUB000186 | 1268.603727071 | C59H96O29 | Terpenoids | Triterpenoids | Saponins | | ![]() | XFXHYKZIZSNVSQ-TZRAUYBZSA-N | | soyasaponin A1 | 1269.388 | 4.19e+00 g/l | -0.66 | 0.0 | Soy bean | | Show Entry |
| Soyasaponin I | PHUB000187 | 942.518815672 | C48H78O18 | Terpenoids | Triterpenoids | Saponins | | ![]() | PTDAHAWQAGSZDD-IOVCITQVSA-N | | soyasaponin I | 943.134 | 2.25e-01 g/l | 2.17 | 0.0 | Chickpea / Common bean / Lentils / Soy bean | | Show Entry |
| Spinasaponin A | PHUB000188 | 794.445256805 | C42H66O14 | Terpenoids | Triterpenoids | Saponins | | ![]() | BQPYEFAVIPEQIK-CGCSGISQSA-N | | spinasaponin A | 794.976 | 5.82e-02 g/l | 3.24 | 0.0 | Spinach | | Show Entry |
| Theasaponin | PHUB000189 | 1232.582597702 | C59H92O27 | Terpenoids | Triterpenoids | Saponins | | ![]() | BWPGKXYWPBQBPV-MWQJAWBESA-N | | theasaponin | 1233.358 | 1.49e+00 g/l | 0.77 | 0.0 | Tea | | Show Entry |
| Ursolic acid | PHUB000190 | 456.360345406 | C30H48O3 | Terpenoids | Triterpenoids | Ursanes | Malol; Malolic acid; Micromerol; Prunol; Urson | ![]() | WCGUUGGRBIKTOS-GPOJBZKASA-N | | ursolic acid | 456.711 | 5.90e-04 g/l | 6.35 | 0.0 | American cranberry / Apple / Bilberry / Common oregano / Common persimmon / Common sage / Common thyme / Guava / Mustard / Olive, green / Pear / Rosemary / Star fruit / Sweet basil / Sweet cherry / White sage (Salvia apiana) | | Show Entry |
| Ursolic acid (2-alpha-hydroxy-) | PHUB000191 | 472.355260026 | C30H48O4 | Terpenoids | Triterpenoids | Ursanes | Corosolic acid; Glucosol | ![]() | HFGSQOYIOKBQOW-ZSDYHTTISA-N | | (1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 472.71 | 4.57e-03 g/l | 5.49 | 0.0 | Apple | | Show Entry |
| Ursolic acid (cis-3-O-hydroxycinnamoyl-) | PHUB000192 | 602.397124839 | C39H54O5 | Terpenoids | Triterpenoids | Ursanes | | ![]() | ZOXDAGKKDOEJBW-HNPRZPGGSA-N | | (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 602.856 | 1.47e-04 g/l | 7.92 | 0.0 | American cranberry | | Show Entry |
| Ursolic acid (trans-3-O-hydroxycinnamoyl-) | PHUB000193 | 602.397124839 | C39H54O5 | Terpenoids | Triterpenoids | Ursanes | | ![]() | ZOXDAGKKDOEJBW-YVZDRRNJSA-N | | (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 602.856 | 1.47e-04 g/l | 7.92 | 0.0 | American cranberry | | Show Entry |
| Uvaol | PHUB000194 | 442.38108085 | C30H50O2 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | XUARCIYIVXVTAE-CXNZXGKSSA-N | | (3S,6aR,6bS,8aS,11R,12S,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol | 442.728 | 2.72e-04 g/l | 6.13 | 0.0 | Common oregano / Olive oil / White sage (Salvia apiana) | | Show Entry |
| Yamogenin | PHUB000195 | 414.313395212 | C27H42O3 | Terpenoids | Triterpenoids | Saponins | | ![]() | WQLVFSAGQJTQCK-CAKNJAFZSA-N | | yamogenin | 414.63 | 5.52e-04 g/l | 4.15 | 0.0 | Asparagus | | Show Entry |
| Zizyberenalic acid | PHUB000196 | 452.329045277 | C30H44O3 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | GUPQNHIGLNUBOG-HYYJCJJOSA-N | | (1R,2R,5S,8R,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid | 452.679 | 2.56e-04 g/l | 6.21 | 0.0 | Jujube | | Show Entry |
| Phytol | PHUB000197 | 296.307915908 | C20H40O | Terpenoids | Diterpenoids | Not Available | | ![]() | BOTWFXYSPFMFNR-PYDDKJGSSA-N | | phytol | 296.539 | 1.10e-04 g/l | 7.89 | 0.0 | Asparagus / Broad bean / Lettuce / Olive oil / Rapeseed oil / Tea | Phytanic acid / Phytenic acid (trans-delta 2-) / Phytenic acid (cis-delta 2-) / Phytenic acid (trans-delta 3-) / Phytenic acid (cis-delta 3-) / Phytenic acid (3-methylene) / Hydroxyphytanic acid (alpha-) / Pristanic acid | Show Entry |
| 16-H1-phytoprostane | PHUB000198 | 326.209324066 | C18H30O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | TZQUATAURWLGJI-ZHACJKMWSA-N | | 8-{6-[(1E)-3-hydroxypent-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}octanoic acid | 326.433 | 7.39e-02 g/l | 3.41 | 0.0 | | | Show Entry |
| 16-D1-phytoprostane | PHUB000199 | 326.209324066 | C18H30O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | MUKVIZSNYWHGCM-ZHACJKMWSA-N | | 8-{5-hydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]-3-oxocyclopentyl}octanoic acid | 326.433 | 3.64e-01 g/l | 2.34 | 0.0 | | | Show Entry |
| 16-E1-phytoprostane | PHUB000200 | 326.209324066 | C18H30O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | PLXNUXTXNUIUNK-ZHACJKMWSA-N | | 8-{3-hydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopentyl}octanoic acid | 326.433 | 3.92e-01 g/l | 2.33 | 0.0 | | | Show Entry |
| 16-F1-phytoprostane | PHUB000201 | 328.22497413 | C18H32O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | RQXBHXSBLSHCPO-ZHACJKMWSA-N | | 8-{3,5-dihydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]cyclopentyl}octanoic acid | 328.449 | 3.46e-01 g/l | 3.12 | 0.0 | Beer / linseed oil / Olive oil / Rapeseed oil / soybean oil | | Show Entry |
| 16-J1-phytoprostane | PHUB000202 | 308.198759382 | C18H28O4 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | FWGSZKXOWWJSMJ-VAWYXSNFSA-N | | 8-{5-[(1E)-3-hydroxypent-1-en-1-yl]-4-oxocyclopent-2-en-1-yl}octanoic acid | 308.418 | 4.71e-02 g/l | 3.52 | 0.0 | | | Show Entry |
| 16-A1-phytoprostane | PHUB000203 | 308.198759382 | C18H28O4 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | OXXJZDJLYSMGIQ-ZRDIBKRKSA-N | | 8-{2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}octanoic acid | 308.418 | 5.39e-02 g/l | 3.47 | 0.0 | | | Show Entry |
| 16-B1-phytoprostane | PHUB000204 | 308.198759382 | C18H28O4 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | 16-L1-phytoprostane | ![]() | WJSAFQZKYVRPGM-ZRDIBKRKSA-N | | 8-{2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}octanoic acid | 308.418 | 2.71e-02 g/l | 3.17 | 0.0 | Almond / Macroalgae / Melon / Olive oil / Olive, green / Red wine | | Show Entry |
| 16-dJ1-phytoprostane | PHUB000205 | 290.188194697 | C18H26O3 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | PDNGUFGDDNNXDJ-PMXBIMRSSA-N | | 8-[(5Z)-4-oxo-5-[(2Z)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoic acid | 290.403 | 1.25e-02 g/l | 5.00 | 0.0 | | | Show Entry |
| 9-H1-phytoprostane | PHUB000206 | 326.209324066 | C18H30O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | UDHHBMXSVGWEAZ-ZHACJKMWSA-N | | (10E)-11-{6-ethyl-2,3-dioxabicyclo[2.2.1]heptan-5-yl}-9-hydroxyundec-10-enoic acid | 326.433 | 8.20e-02 g/l | 3.40 | 0.0 | | | Show Entry |
| 9-D1-phytoprostane | PHUB000207 | 326.209324066 | C18H30O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | HPKXZPJOBRJOHF-ZHACJKMWSA-N | | (10E)-11-(2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid | 326.433 | 3.53e-01 g/l | 2.36 | 0.0 | Almond / Olive oil / Red wine | | Show Entry |
| 9-E1-phytoprostane | PHUB000208 | 326.209324066 | C18H30O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | GEVZHBGQVSRMPD-ZHACJKMWSA-N | | (10E)-11-(2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid | 326.433 | 3.67e-01 g/l | 2.36 | 0.0 | | | Show Entry |
| 9-F1-phytoprostane | PHUB000209 | 328.22497413 | C18H32O5 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | GKBLNJXQDMHILB-ZHACJKMWSA-N | | (10E)-11-(2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid | 328.449 | 3.37e-01 g/l | 3.14 | 0.0 | Algae / Almond / Beer / linseed oil / Macroalgae / Melon / Olive oil / Olive, green / Rapeseed oil / Red wine / soybean oil | | Show Entry |
| 9-J1-phytoprostane | PHUB000210 | 308.198759382 | C18H28O4 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | GSIHBOIIJFLKIL-VAWYXSNFSA-N | | (10E)-11-(2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid | 308.418 | 5.51e-02 g/l | 3.46 | 0.0 | | | Show Entry |
| 9-A1-phytoprostane | PHUB000211 | 308.198759382 | C18H28O4 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | MYTDGCAXWORFIK-ZRDIBKRKSA-N | | (10E)-11-(5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid | 308.418 | 5.42e-02 g/l | 3.46 | 0.0 | | | Show Entry |
| 9-B1-phytoprostane | PHUB000212 | 308.198759382 | C18H28O4 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | 9-L1-phytoprostane | ![]() | KXMANOZDITZERP-ZRDIBKRKSA-N | | (10E)-11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9-hydroxyundec-10-enoic acid | 308.418 | 2.93e-02 g/l | 3.18 | 0.0 | | | Show Entry |
| 9-dJ1-phytoprostane | PHUB000213 | 290.188194697 | C18H26O3 | Miscellaneous phytochemicals | Phytoprostanes | Not Available | | ![]() | WRLHJNCNGIFTDZ-PUNCNYEPSA-N | | (9Z)-11-[(1Z)-2-ethyl-5-oxocyclopent-3-en-1-ylidene]undec-9-enoic acid | 290.403 | 9.71e-03 g/l | 5.03 | 0.0 | | | Show Entry |
| 6''-O-Acetyldaidzin | PHUB000214 | 458.121296908 | C23H22O10 | Polyphenols | Flavonoids | Isoflavones | 6''-O-acetyl-7,4'-dihydroxyisoflavone 7-O-glucoside; 6''-O-Acetyldaidzein 7-O-glucoside; Acetyldaidzin | ![]() | ZMOZJTDOTOZVRT-UHFFFAOYSA-N | | (3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate | 458.419 | 3.50e-01 g/l | 1.43 | 0.0 | | | Show Entry |
| 6''-O-Acetylgenistin | PHUB000215 | 474.116211528 | C23H22O11 | Polyphenols | Flavonoids | Isoflavones | 6''-O-Acetyl-5,7,4'-trihydroxyisoflavone 7-O-glucoside; 6''-O-Acetylgenistein 7-O-glucoside; Acetylgenistin | ![]() | DXWGBJJLEDQBKS-UHFFFAOYSA-N | | (3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate | 474.418 | 4.79e-01 g/l | 1.25 | 0.0 | | | Show Entry |
| 6''-O-Acetylglycitin | PHUB000216 | 488.131861593 | C24H24O11 | Polyphenols | Flavonoids | Isoflavones | 6''-O-acetyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside; 6''-O-Acetylglycitein 7-O-glucoside; Acetylglycitin | ![]() | DUBPGEJGGVZKDD-UHFFFAOYSA-N | | (3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate | 488.445 | 3.32e-01 g/l | 1.41 | 0.0 | | | Show Entry |
| 6''-O-Malonyldaidzin | PHUB000217 | 502.111126148 | C24H22O12 | Polyphenols | Flavonoids | Isoflavones | 6''-O-Malonyl-7,4'-dihydroxyisoflavone 7-O-glucoside; 6''-O-Malonyldaidzein 7-O-glucoside; Malonyldaidzin | ![]() | MTXMHWSVSZKYBT-UHFFFAOYSA-N | | 3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid | 502.428 | 3.62e-01 g/l | 0.80 | 0.0 | | | Show Entry |
| 6''-O-Malonylgenistin | PHUB000218 | 518.106040768 | C24H22O13 | Polyphenols | Flavonoids | Isoflavones | 6''-O-Malonyl-5,7,4'-trihydroxyisoflavone 7-O-glucoside; 6''-O-Malonylgenistein 7-O-glucoside; Malonylgenistin | ![]() | FRAUJUKWSKMNJY-UHFFFAOYSA-N | | 3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid | 518.427 | 5.97e-01 g/l | 1.34 | 0.0 | | | Show Entry |
| 6''-O-Malonylglycitin | PHUB000219 | 532.121690833 | C25H24O13 | Polyphenols | Flavonoids | Isoflavones | 6''-O-Malonyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside; 6''-O-Malonylglycitein 7-O-glucoside; Malonylglycitin | ![]() | OWMHCYFEIJPHFB-UHFFFAOYSA-N | | 3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid | 532.454 | 3.14e-01 g/l | 0.84 | 0.0 | | | Show Entry |
| Biochanin A | PHUB000220 | 284.068473486 | C16H12O5 | Polyphenols | Flavonoids | Isoflavones | 4'-Methylgenistein; 5,7-Dihydroxy-4'-methoxyisoflavone; Pratensol | ![]() | WUADCCWRTIWANL-UHFFFAOYSA-N | | biochanin | 284.267 | 5.83e-02 g/l | 3.44 | 0.0 | | Biochanin A-7-O-glucuronide / Biochanin A sulfate / 2,3-Dihydrobiochanin A | Show Entry |
| Coumestrol | PHUB000221 | 268.037173358 | C15H8O5 | Polyphenols | Flavonoids | Isoflavones | 7,12-Dihydroxycoumestan; Chrysanthin | ![]() | ZZIALNLLNHEQPJ-UHFFFAOYSA-N | | coumestrol | 268.224 | 2.81e-01 g/l | 2.43 | 0.0 | | | Show Entry |
| Daidzein | PHUB000222 | 254.057908802 | C15H10O4 | Polyphenols | Flavonoids | Isoflavones | 7,4'-Dihydroxyisoflavone; Daidzeol | ![]() | ZQSIJRDFPHDXIC-UHFFFAOYSA-N | | daidzein | 254.241 | 8.49e-02 g/l | 3.30 | 0.0 | Soy bean / Soy milk | Daidzein 7-O-glucuronide / Daidzein 4'-O-glucuronide / Daidzein 7-O-sulfate / Dihydrodaidzein / Dihydrodaidzein 7-O-glucuronide / Equol | Show Entry |
| Daidzin | PHUB000223 | 416.110732224 | C21H20O9 | Polyphenols | Flavonoids | Isoflavones | 7,4'-Dihydroxyisoflavone 7-O-glucoside; Daidzein 7-O-glucoside | ![]() | KYQZWONCHDNPDP-QNDFHXLGSA-N | | daidzin | 416.382 | 6.61e-01 g/l | 0.71 | 0.0 | | Equol | Show Entry |
| Formononetin | PHUB000224 | 268.073558866 | C16H12O4 | Polyphenols | Flavonoids | Isoflavones | 4'-Methyldaidzein; 7-Hydroxy-4'-methoxyisoflavone; Biochanin B; Neochanin; Pratol | ![]() | HKQYGTCOTHHOMP-UHFFFAOYSA-N | | formononetin | 268.268 | 4.02e-02 g/l | 3.56 | 0.0 | | Formononetin 7-O-glucuronide / Formononetin sulfate / Dihydroformononetin / Calycosin | Show Entry |
| Genistein | PHUB000225 | 270.052823422 | C15H10O5 | Polyphenols | Flavonoids | Isoflavones | 5,7,4'-Trihydroxyisoflavone; Genisteol; Prunetol; Sophoricol | ![]() | TZBJGXHYKVUXJN-UHFFFAOYSA-N | | genistein | 270.24 | 1.23e-01 g/l | 3.04 | 0.0 | | Dihydrogenistein / Genistein 7-O-glucuronide / Genistein O-sulfate / 6'-Hydroxy-O-desmethylangolensin | Show Entry |
| Genistin | PHUB000226 | 432.105646844 | C21H20O10 | Polyphenols | Flavonoids | Isoflavones | 5,7,4'-Trihydroxyisoflavone 7-O-glucoside; Genistein 7-O-glucoside | ![]() | ZCOLJUOHXJRHDI-CMWLGVBASA-N | | genistin | 432.381 | 1.01e+00 g/l | 0.68 | 0.0 | | | Show Entry |
| Glycitein | PHUB000227 | 284.068473486 | C16H12O5 | Polyphenols | Flavonoids | Isoflavones | 7,4'-Dihydroxy-6-methoxyisoflavone; Glycitein | ![]() | DXYUAIFZCFRPTH-UHFFFAOYSA-N | | glycitein | 284.267 | 5.56e-02 g/l | 3.35 | 0.0 | | | Show Entry |
| Glycitin | PHUB000228 | 446.121296908 | C22H22O10 | Polyphenols | Flavonoids | Isoflavones | 7,4'-Dihydroxyi-6-methoxyisoflavone 7-O-glucoside; Glycitein 7-O-glucoside | ![]() | OZBAVEKZGSOMOJ-MIUGBVLSSA-N | | glycitin | 446.408 | 5.39e-01 g/l | 0.83 | 0.0 | | | Show Entry |
| Licoisoflavone A | PHUB000229 | 354.1103383 | C20H18O6 | Polyphenols | Flavonoids | Isoflavones | Phaseoluteone | ![]() | KCUZCRLRQVRBBV-UHFFFAOYSA-N | | licoisoflavone A | 354.358 | 1.93e-02 g/l | 3.29 | 0.0 | | | Show Entry |
| Prunetin | PHUB000230 | 284.068473486 | C16H12O5 | Polyphenols | Flavonoids | Isoflavones | | ![]() | KQMVAGISDHMXJJ-UHFFFAOYSA-N | | prunetin | 284.267 | 5.86e-02 g/l | 3.36 | 0.0 | Liquorice / Red clover / Tart cherry | | Show Entry |
| Puerarin | PHUB000231 | 416.110732224 | C21H20O9 | Polyphenols | Flavonoids | Isoflavones | Daidzein 8-C-glucoside | ![]() | HKEAFJYKMMKDOR-UHFFFAOYSA-N | | puerarin | 416.382 | 1.08e+00 g/l | 0.48 | 0.0 | | | Show Entry |
| Sayanedine | PHUB000232 | 298.084123551 | C17H14O5 | Polyphenols | Flavonoids | Isoflavones | | ![]() | JSDXTLJPMLRQOB-UHFFFAOYSA-N | | sayanedine | 298.294 | 3.19e-02 g/l | 3.47 | 0.0 | | | Show Entry |
| 4-Hydroxycoumarin | PHUB000233 | 162.031694053 | C9H6O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | OWBBAPRUYLEWRR-UHFFFAOYSA-N | | 4-hydroxycoumarin | 162.144 | 3.55e+00 g/l | 0.75 | 0.0 | | | Show Entry |
| Angelicin | PHUB000234 | 186.031694053 | C11H6O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | Isosporalen | ![]() | XDROKJSWHURZGO-UHFFFAOYSA-N | | angelicin | 186.166 | 1.48e-01 g/l | 2.03 | 0.0 | Celeriac / Parsnip | | Show Entry |
| Archangelicin | PHUB000235 | 426.167853177 | C24H26O7 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | RVGGCRQPGKFZDS-OGYNRYKTSA-N | | 2-[(9R)-9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate | 426.465 | 3.22e-03 g/l | 4.93 | 0.0 | Angelica | | Show Entry |
| Bergamottin | PHUB000236 | 338.151809188 | C21H22O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | DBMJZOMNXBSRED-DHDCSXOGSA-N | | 4-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}furo[3,2-g]chromen-7-one | 338.403 | 1.04e-02 g/l | 5.30 | 0.0 | Earl grey tea / Grapefruit / Lemon / Lime / Pummelo | | Show Entry |
| Bergapten | PHUB000237 | 216.042258738 | C12H8O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 5-Methoxypsoralen | ![]() | BGEBZHIAGXMEMV-UHFFFAOYSA-N | | bergapten | 216.192 | 1.48e-01 g/l | 2.12 | 0.0 | Celeriac / Earl grey tea / Grapefruit / Lime / Parsley / Parsnip | | Show Entry |
| Coumarin | PHUB000238 | 146.036779433 | C9H6O2 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 1,2-Benzopyrone | ![]() | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N | | coumarin | 146.145 | 1.00e+00 g/l | 1.72 | 0.0 | | | Show Entry |
| Esculetin | PHUB000239 | 178.026608673 | C9H6O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 6,7-dihydroxy-2H-1-benzopyran-2-one; 6,7-Dihydroxycoumarin; Aesculetin; Cichorigenin; Esculetol | ![]() | ILEDWLMCKZNDJK-UHFFFAOYSA-N | | esculetin | 178.143 | 4.60e+00 g/l | 1.38 | 0.0 | | | Show Entry |
| Esculin | PHUB000240 | 340.079432095 | C15H16O9 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 6,7-Dihydroxycoumarin 6-beta-D-glucopyranoside; Aesculin; Bicolorin; Crataegin; Esculoside | ![]() | XHCADAYNFIFUHF-TVKJYDDYSA-N | | (-)-esculin | 340.284 | 1.03e+01 g/l | -0.53 | 0.0 | | | Show Entry |
| Isopimpinellin | PHUB000241 | 246.052823422 | C13H10O5 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 5,8-Dimethoxypsoralen | ![]() | DFMAXQKDIGCMTL-UHFFFAOYSA-N | | isopimpinellin | 246.218 | 1.46e-01 g/l | 2.01 | 0.0 | | | Show Entry |
| Mellein | PHUB000242 | 178.062994182 | C10H10O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 3,4-Dihydro-8-hydroxy-3-methylisocoumarin; Antibiotic AO-2; Antibiotic BV-1; Ochracin | ![]() | KWILGNNWGSNMPA-UHFFFAOYSA-N | | mellein | 178.187 | 3.14e+00 g/l | 2.27 | 0.0 | | | Show Entry |
| Pimpinellin | PHUB000243 | 246.052823422 | C13H10O5 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | BQPRWZCEKZLBHL-UHFFFAOYSA-N | | pimpinellin | 246.218 | 1.55e-01 g/l | 2.00 | 0.0 | | | Show Entry |
| Psoralen | PHUB000244 | 186.031694053 | C11H6O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 6,7-Furanocoumarin; Ficusin | ![]() | ZCCUUQDIBDJBTK-UHFFFAOYSA-N | | psoralen | 186.166 | 1.34e-01 g/l | 2.15 | 0.0 | | | Show Entry |
| Scoparone | PHUB000245 | 206.057908802 | C11H10O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | Dimethoxycoumarin; Dimethylesculetin | ![]() | GUAFOGOEJLSQBT-UHFFFAOYSA-N | | scoparone | 206.197 | 4.06e-01 g/l | 1.80 | 0.0 | | | Show Entry |
| Scopoletin | PHUB000246 | 192.042258738 | C10H8O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 6-Methoxyumbelliferone; 6-O-Methylesculetin; 7-Hydroxy-5-methoxycoumarin; Chrysatropic acid; Gelseminic acid | ![]() | RODXRVNMMDRFIK-UHFFFAOYSA-N | | scopoletin | 192.17 | 2.35e+00 g/l | 1.65 | 0.0 | | | Show Entry |
| Scopolin | PHUB000247 | 354.09508216 | C16H18O9 | Polyphenols | Coumarins and Furanocoumarins | Not Available | Murrayin | ![]() | SGTCGCCQZOUMJJ-YMILTQATSA-N | | scopolin | 354.311 | 5.61e+00 g/l | -0.56 | 0.0 | | | Show Entry |
| Seselin | PHUB000248 | 228.078644246 | C14H12O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | Amyrolin | ![]() | QUVCQYQEIOLHFZ-UHFFFAOYSA-N | | 8,8-dimethylpyrano[2,3-h]chromen-2-one | 228.247 | 4.00e-02 g/l | 3.00 | 0.0 | | | Show Entry |
| Sphondin | PHUB000249 | 216.042258738 | C12H8O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | DLCJNIBLOSKIQW-UHFFFAOYSA-N | | 6-methoxyfuro[2,3-h]chromen-2-one | 216.192 | 1.56e-01 g/l | 2.07 | 0.0 | | | Show Entry |
| Umbelliferone | PHUB000250 | 162.031694053 | C9H6O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 7-Hydroxycoumarin; Dichrin A; Hydrangin; Skimmetin | ![]() | ORHBXUUXSCNDEV-UHFFFAOYSA-N | | umbelliferone | 162.144 | 4.38e+00 g/l | 1.85 | 0.0 | Carrot / Celery stalks / Coriander / Cumin / Dill / Fennel / Parsley / Parsnip | 4-Methylumbelliferone glucuronide / 4-Methylumbelliferone sulfate | Show Entry |
| Xanthotoxin | PHUB000251 | 216.042258738 | C12H8O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 8-Methoxypsoralen; Ammoidin; Methoxsalen | ![]() | QXKHYNVANLEOEG-UHFFFAOYSA-N | | methoxsalen | 216.192 | 1.64e-01 g/l | 2.10 | 0.0 | | | Show Entry |
| Xanthotoxol | PHUB000252 | 202.026608673 | C11H6O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | JWVYQQGERKEAHW-UHFFFAOYSA-N | | xanthotoxol | 202.165 | 7.77e-01 g/l | 1.90 | 0.0 | | | Show Entry |
| Isobergapten | PHUB000253 | 216.042258738 | C12H8O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | AJSPSRWWZBBIOR-UHFFFAOYSA-N | | 5-methoxyfuro[2,3-h]chromen-2-one | 216.192 | 1.55e-01 g/l | 2.06 | 0.0 | | | Show Entry |
| Paradisin A | PHUB000254 | 726.304012301 | C42H46O11 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | AGWWNHLHAZTYCS-WFOJNGAISA-N | | 4-{[(2E)-7-hydroxy-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxofuro[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethyloct-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one | 726.819 | 5.26e-03 g/l | 6.58 | 0.0 | | | Show Entry |
| 6',7'-Dihydroxybergamottin | PHUB000255 | 372.157288493 | C21H24O6 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 6,7-Dihydroxybergamottin | ![]() | IXZUPBUEKFXTSD-JYRVWZFOSA-N | | 4-{[(2Z)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one | 372.417 | 4.41e-02 g/l | 3.40 | 0.0 | | | Show Entry |
| Paradisin C | PHUB000256 | 726.304012301 | C42H46O11 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | XJFYVHQSQCXVIW-LVSXPEEVSA-N | | 4-{[(2E)-5-(4'-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl)-3-methylpent-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one | 726.819 | 5.85e-03 g/l | 6.59 | 0.0 | | | Show Entry |
| Herniarin | PHUB000257 | 176.047344118 | C10H8O3 | Polyphenols | Coumarins and Furanocoumarins | Not Available | 7-Methoxy-2H-chromen-2-one | ![]() | LIIALPBMIOVAHH-UHFFFAOYSA-N | | methylumbelliferone | 176.171 | 4.99e-01 g/l | 1.88 | 0.0 | | | Show Entry |
| Byakangelicin | PHUB000258 | 334.10525292 | C17H18O7 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | PKRPFNXROFUNDE-LLVKDONJSA-N | | byakangelicin | 334.324 | 3.26e-01 g/l | 1.79 | 0.0 | | | Show Entry |
| Bergaptol | PHUB000259 | 202.026608673 | C11H6O4 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | GIJHDGJRTUSBJR-UHFFFAOYSA-N | | bergaptol | 202.165 | 8.88e-01 g/l | 1.86 | 0.0 | Grapefruit | | Show Entry |
| Paradisin B | PHUB000260 | 708.293447617 | C42H44O10 | Polyphenols | Coumarins and Furanocoumarins | Not Available | | ![]() | ZXUKAZPCOMPMHC-CXLQOVKTSA-N | | 4-{[(2E)-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxofuro[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one | 708.804 | 2.97e-03 g/l | 6.98 | 0.0 | | | Show Entry |
| (+)-Catechin | PHUB000261 | 290.07903818 | C15H14O6 | Polyphenols | Flavonoids | Flavanols | (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol; 3,5,7,3',4'-Pentahydroxyflavane; catechuic acid; Cianidanol | ![]() | PFTAWBLQPZVEMU-DZGCQCFKSA-N | 154-23-4 | (+)-catechol | 290.2681 | 6.45e-01 g/l | 1.02 | 0.0 | Apple / Apple cider / Apple juice / Apricot / Banana / Black tea / Blackberry / Broad bean / Chocolate / Cocoa / European plum / Green tea / Peach / Pear / Pecan nut / Red wine / Strawberry / Sweet cherry | 4'-Hydroxyphenylacetic acid / 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone / 5-(3',4'-dihydroxyphenyl)valeric acid / 5-(4’-hydroxyphenyl)-gamma-valerolactone | Show Entry |
| (-)-Epicatechin | PHUB000262 | 290.079038171 | C15H14O6 | Polyphenols | Flavonoids | Flavanols | 3,5,7,3',4'-Pentahydroxyflavane; Epicatechol | ![]() | PFTAWBLQPZVEMU-AFYYWNPRSA-N | 490-46-0 | (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 290.271 | 6.45e-01 g/l | 1.02 | 0.0 | Almond / Apple / Apple cider / Apple juice / Apricot / Black tea / Blackberry / Broad bean / Chocolate / Cocoa / Cocoa bean / Cocoa powder / Common chokecherry / Common walnut / European cranberry / European plum / Grape / Green tea / Peach / Pear / Pomegranate / Strawberry / Sweet cherry / Tea | 4'-Hydroxyphenylacetic acid / (-)-Epicatechin 3'-O-glucuronide / (-)-Epicatechin 3'-O-sulfate / (-)-Epicatechin 4'-O-glucuronide / (-)-Epicatechin 4'-O-sulfate / (-)-Epicatechin 5-O-sulfate / (-)-Epicatechin 7-O-glucuronide / (-)-Epicatechin glucuronide / (-)-Epicatechin sulfoglucuronide / (Epi)catechin O-glucuronide / (Epi)catechin O-sulfate / 1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol / 1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol / 3-(3',4'-Dihydroxyphenyl)propionic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyphenylacetic acid / 3'-O-Methyl-(-)-epicatechin 4'-O-sulfate / 3'-O-Methyl-(-)-epicatechin 5-O-sulfate / 3'-O-Methyl-(-)-epicatechin 7-O-sulfate / 3'-O-Methyl-(-)-epicatechin glucuronide / 3'-O-Methyl(epi)catechin O-sulfate / 4'-O-Methyl-(-)-epicatechin 5-O-sulfate / 4'-O-Methyl-(-)-epicatechin 7-O-sulfate / 4'-O-Methyl-(-)-epicatechin glucuronide / 4'-O-methyl(epi)catechin O-sulfate / 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone / 5-(3',4'-dihydroxyphenyl)valeric acid / 5-(3'-hydroxyphenyl)valeric acid / Methyl-(-)-epicatechin sulfate / Methyl-(-)-epicatechin sulfoglucuronide / Phenylacetic acid / 3-Hydroxyhippuric acid / Hippuric acid / 5-(3'-Hydroxyphenyl)-gamma-valerolactone / (-)-Epicatechin-5-O-glucuronide / 3'-O-Methyl-epicatechin-5-O-glucuronide / 5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide / (-)-Epicatechin-7-O-glucuronide / 3'-O-Methyl-epicatechin / 4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide / 5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid / 5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate / 5-(Phenyl)-gamma-valerolactone-3'-sulfate / 4-Hydroxybenzoic acid -3-sulfate / 3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate / 5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide / 5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate / 5-(4’-hydroxyphenyl)-gamma-valerolactone / 3'-Methyl-epicatechin-7-O-glucuronide | Show Entry |
| (-)-Epicatechin 3-O-gallate | PHUB000263 | 442.08999678 | C22H18O10 | Polyphenols | Flavonoids | Flavanols | | ![]() | LSHVYAFMTMFKBA-TZIWHRDSSA-N | | (-)-epicatechin 3-O-gallate | 442.376 | 4.43e-02 g/l | 2.55 | 0.0 | Black tea / Green tea | (Epi)catechin 3-O-gallate O-sulfate / O-Methyl(epi)catechin-3-O-gallate O-sulfate | Show Entry |
| (-)-Epigallocatechin | PHUB000264 | 306.073952791 | C15H14O7 | Polyphenols | Flavonoids | Flavanols | | ![]() | XMOCLSLCDHWDHP-KEKZHRQWSA-N | | (3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 306.27 | 8.71e-01 g/l | 0.71 | 0.0 | Almond / Apricot / Black tea / Green tea | (Epi)gallocatechin O-glucuronide / (Epi)gallocatechin O-sulfate / 4'-O-methyl(epi)gallocatechin O-glucuronide / 4'-O-Methyl(epi)gallocatechin O-sulfate / 5-(3’,4’,5’-trihydroxyphenyl)-gamma-valerolactone | Show Entry |
| (-)-Epigallocatechin 3-O-gallate | PHUB000265 | 458.084911418 | C22H18O11 | Polyphenols | Flavonoids | Flavanols | EGCG | ![]() | WMBWREPUVVBILR-WIYYLYMNSA-N | | (-)-epigallocatechin gallate | 458.3717 | 7.28e-02 g/l | 2.38 | 0.0 | Black tea / Green tea | (Epi)gallocatechin-3-O-gallate O-sulfate / O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate / 5-(3’,4’,5’-trihydroxyphenyl)-gamma-valerolactone | Show Entry |
| (+)-catechin-3-O-gallate | PHUB000266 | 442.08999678 | C22H18O10 | Polyphenols | Flavonoids | Flavanols | | ![]() | LSHVYAFMTMFKBA-PZJWPPBQSA-N | | catechin 3-O-gallate | 442.376 | 4.43e-02 g/l | 2.55 | 0.0 | Black tea / Green tea | | Show Entry |
| (+)-Catechin 3-O-glucose | PHUB000267 | 452.131861593 | C21H24O11 | Polyphenols | Flavonoids | Flavanols | | ![]() | YOVYWMDLYSJYPO-UHFFFAOYSA-N | | 2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 452.412 | 2.26e+00 g/l | -0.02 | 0.0 | | | Show Entry |
| (+)-Gallocatechin | PHUB000268 | 306.073952791 | C15H14O7 | Polyphenols | Flavonoids | Flavanols | | ![]() | XMOCLSLCDHWDHP-SWLSCSKDSA-N | | (+)-gallocatechin | 306.27 | 8.71e-01 g/l | 0.71 | 0.0 | Black tea / Green tea | | Show Entry |
| (+)-Gallocatechin 3-O-gallate | PHUB000269 | 458.0849114 | C22H18O11 | Polyphenols | Flavonoids | Flavanols | | ![]() | WMBWREPUVVBILR-ITUIMRKVSA-N | | (3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate | 458.375 | 7.28e-02 g/l | 2.38 | 0.0 | Apple / Black tea / Green tea | | Show Entry |
| Afzelechin | PHUB000270 | 274.084123551 | C15H14O5 | Polyphenols | Flavonoids | Flavanols | 3,5,7,4'-tetrahydroxyflavan | ![]() | RSYUFYQTACJFML-CFMCSPIPSA-N | | (3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 274.272 | 4.63e-01 g/l | 1.29 | 0.0 | Kiwi | | Show Entry |
| Cinnamtannin B1 | PHUB000271 | 864.190164319 | C45H36O18 | Polyphenols | Flavonoids | Flavanols | | ![]() | BYSRPHRKESMCPO-LQNPQWRQSA-N | | (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol | 864.765 | 1.64e-01 g/l | 3.54 | 0.0 | | | Show Entry |
| Cinnamtannin D1 | PHUB000272 | 864.190164319 | C45H36O18 | Polyphenols | Flavonoids | Flavanols | | ![]() | BYSRPHRKESMCPO-HMQYECKYSA-N | | (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol | 864.765 | 1.64e-01 g/l | 3.54 | 0.0 | | | Show Entry |
| Cinnamtannin A2 | PHUB000273 | 1154.26920249 | C60H50O24 | Polyphenols | Flavonoids | Flavanols | EC-(4b,8)-EC-(4b,8)-EC-(4b,8)-EC; Tetramer D | ![]() | QFLMUASKTWGRQE-JNIIMKSASA-N | | (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 1155.036 | 5.76e-01 g/l | 4.05 | 0.0 | Cocoa | | Show Entry |
| Epigallocatechin-(4b,8)-epicatechin-3-O-gallate ester | PHUB000274 | 746.148299506 | C37H30O17 | Polyphenols | Flavonoids | Flavanols | | ![]() | LQQNPVZIFKLQPE-RGOYVLDUSA-N | | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate | 746.63 | 1.11e-01 g/l | 3.21 | 0.0 | | | Show Entry |
| Procyanidin dimer A2 | PHUB000275 | 576.126776213 | C30H24O12 | Polyphenols | Flavonoids | Flavanols | Epicatechin-(2b,7)(4b,8)-epicatechin; Proanthocyanidin A2; Procyanidin A2 | ![]() | NSEWTSAADLNHNH-LSBOWGMISA-N | | (1R,5R,6R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol | 576.51 | 1.27e-01 g/l | 2.43 | 0.0 | American cranberry / Lingonberry | Benzoic acid / 3',4'-Dihydroxyphenylacetic acid / 4'-Hydroxyphenylacetic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyphenylacetic acid / Phenylacetic acid / 3-Phenylpropionic acid | Show Entry |
| Procyanidin dimer B1 | PHUB000276 | 578.142426277 | C30H26O12 | Polyphenols | Flavonoids | Flavanols | Epicatechin-(4b,8)-catechin | ![]() | XFZJEEAOWLFHDH-UKWJTHFESA-N | | procyanidin B1 | 578.526 | 1.38e-01 g/l | 2.29 | 0.0 | Apple / Apple cider / Apple juice / Black tea / Cocoa / Strawberry | | Show Entry |
| Procyanidin dimer B2 | PHUB000277 | 578.142426277 | C30H26O12 | Polyphenols | Flavonoids | Flavanols | Epicatechin-(4b,8)-epicatechin | ![]() | XFZJEEAOWLFHDH-NFJBMHMQSA-N | | procyanidin B2 | 578.526 | 1.38e-01 g/l | 2.29 | 0.0 | Apple / Apple cider / Apple juice / Apricot / Black tea / Blackberry / Cocoa / Green tea | (-)-Epicatechin / 1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol / 1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol / 3-(3',4'-Dihydroxyphenyl)propionic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyphenylacetic acid / 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone / 5-(3',4'-dihydroxyphenyl)valeric acid / 5-(3'-hydroxyphenyl)valeric acid / Phenylacetic acid / (Epi)catechin / 5-(3'-Hydroxyphenyl)-gamma-valerolactone / Hydroxyprocyanidin B2 | Show Entry |
| Procyanidin dimer B3 | PHUB000278 | 578.142426277 | C30H26O12 | Polyphenols | Flavonoids | Flavanols | Catechin-(4a,8)-catechin | ![]() | XFZJEEAOWLFHDH-AVFWISQGSA-N | | procyanidin B3 | 578.526 | 1.38e-01 g/l | 2.29 | 0.0 | Strawberry | | Show Entry |
| Procyanidin dimer B4 | PHUB000279 | 578.142426277 | C30H26O12 | Polyphenols | Flavonoids | Flavanols | Catechin-(4a,8)-epicatechin; Procyanidin B4 | ![]() | XFZJEEAOWLFHDH-VUGKQVTMSA-N | | procyanidin B4 | 578.526 | 1.38e-01 g/l | 2.29 | 0.0 | Black tea / Green tea | | Show Entry |
| Procyanidin dimer B5 | PHUB000280 | 578.142426277 | C30H26O12 | Polyphenols | Flavonoids | Flavanols | Epicaetchin-(4b,6)-epicatechin | ![]() | GMISZFQPFDAPGI-CVJZBMGUSA-N | | (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 578.526 | 1.31e-01 g/l | 2.31 | 0.0 | Apple | (Epi)catechin | Show Entry |
| Procyanidin dimer B7 | PHUB000281 | 578.142426277 | C30H26O12 | Polyphenols | Flavonoids | Flavanols | Epicatechin-(4,6)-catechin | ![]() | GMISZFQPFDAPGI-PWFSPABBSA-N | | (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 578.526 | 1.31e-01 g/l | 2.31 | 0.0 | Apple / Green tea | | Show Entry |
| Procyanidin trimer C1 | PHUB000282 | 866.205814384 | C45H38O18 | Polyphenols | Flavonoids | Flavanols | Epicatechin-(4b,8)-epicatechin-(4b,8)-epicatechin | ![]() | MOJZMWJRUKIQGL-XILRTYJMSA-N | | proanthocyanidin C1 | 866.781 | 2.47e-01 g/l | 3.38 | 0.0 | Apple / Apple cider / Apple juice / Black tea / Cocoa / Green tea | | Show Entry |
| Procyanidin trimer C2 | PHUB000283 | 866.205814384 | C45H38O18 | Polyphenols | Flavonoids | Flavanols | Catechin-(4,8)-catechin-(4,8)-catechin | ![]() | MOJZMWJRUKIQGL-WNCKYJNFSA-N | | (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 866.781 | 2.47e-01 g/l | 3.38 | 0.0 | | | Show Entry |
| Prodelphinidin dimer B3 | PHUB000284 | 594.137340897 | C30H26O13 | Polyphenols | Flavonoids | Flavanols | Dimer GC-C; Gallocatechin-(4,8)-catechin | ![]() | ZYDDITZPGFXQSD-SMSOEIQDSA-N | | | 594.525 | | | 0.0 | Black tea | | Show Entry |
| Theaflavin | PHUB000285 | 564.126776213 | C29H24O12 | Polyphenols | Flavonoids | Flavanols | | ![]() | IPMYMEWFZKHGAX-HFJQIFDKSA-N | | 3,4,6-trihydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-1-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzo[7]annulen-5-one | 564.499 | 2.19e-01 g/l | 1.84 | 0.0 | Black tea | | Show Entry |
| Theaflavin 3,3'-O-digallate | PHUB000286 | 868.14869343 | C43H32O20 | Polyphenols | Flavonoids | Flavanols | | ![]() | ZEASWHWETFMWCV-WFSKSMLXSA-N | | (3S)-2-{8-[(3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-1-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate | 868.709 | 1.04e-01 g/l | 3.78 | 0.0 | Black tea | | Show Entry |
| Theaflavin 3'-O-gallate | PHUB000287 | 716.137734822 | C36H28O16 | Polyphenols | Flavonoids | Flavanols | | ![]() | GPLOTACQBREROW-SYLKOZIVSA-N | | (3S)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzo[7]annulen-1-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate | 716.604 | 1.23e-01 g/l | 3.03 | 0.0 | Black tea | | Show Entry |
| Theaflavin 3-O-gallate | PHUB000288 | 716.137734822 | C36H28O16 | Polyphenols | Flavonoids | Flavanols | | ![]() | KMJPKUVSXFVQGZ-AAAVWHKFSA-N | | (3R)-5,7-dihydroxy-2-{1,2,8-trihydroxy-9-oxo-4-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzo[7]annulen-6-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate | 716.604 | 1.21e-01 g/l | 3.02 | 0.0 | Black tea | | Show Entry |
| Theasinensin A | PHUB000289 | 914.154172735 | C44H34O22 | Polyphenols | Flavonoids | Flavanols | | ![]() | YUULFXAQUWEYNP-GXAWFILRSA-N | | (2R,3R)-2-{6'-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2',3',4,4',5,6-hexahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate | 914.734 | 1.46e-01 g/l | 3.48 | 0.0 | | | Show Entry |
| 2,3-Dihydroxybenzoic acid | PHUB000290 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | o-Pyrocatechuic acid | ![]() | GLDQAMYCGOIJDV-UHFFFAOYSA-N | | 2,3-dihydroxy-benzoic acid | 154.121 | 6.88e+00 g/l | 1.42 | 0.0 | | | Show Entry |
| 2,4-Dihydroxybenzoic acid | PHUB000291 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | UIAFKZKHHVMJGS-UHFFFAOYSA-N | | 2,4-dihydroxybenzoic acid | 154.121 | 1.24e+01 g/l | 1.23 | 0.0 | American cranberry | | Show Entry |
| 2,6-Dihydroxybenzoic acid | PHUB000292 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | AKEUNCKRJATALU-UHFFFAOYSA-N | | 2,6-dihydroxybenzoic acid | 154.121 | 7.49e+00 g/l | 1.28 | 0.0 | Strawberry | | Show Entry |
| 3,5-Dihydroxybenzoic acid | PHUB000293 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 5-Carboxyresorcinol; α-Resorcylic acid | ![]() | UYEMGAFJOZZIFP-UHFFFAOYSA-N | 99-10-5 | 3,5-dihydroxybenzoic acid | 154.121 | 1.20e+01 g/l | 1.29 | 0.0 | | | Show Entry |
| 3-Hydroxybenzoic acid | PHUB000294 | 138.031694053 | C7H6O3 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 3-Hydroxybenzenecarboxylic acid; m-Hydroxybenzoic acid | ![]() | IJFXRHURBJZNAO-UHFFFAOYSA-N | 99-06-9 | 3-hydroxybenzoic acid | 138.122 | 1.02e+01 g/l | 1.81 | 0.0 | | Cyanidin 3-O-glucoside / Caffeic acid / 5-O-Caffeoylquinic acid / Ferulic acid | Show Entry |
| 4-Hydroxybenzoic acid | PHUB000295 | 138.031694053 | C7H6O3 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 4-Hydroxybenzenecarboxylic acid; p-Hydroxybenzoic acid | ![]() | FJKROLUGYXJWQN-UHFFFAOYSA-N | 99-96-7 | P-hydroxybenzoic acid | 138.122 | 1.19e+01 g/l | 1.58 | 0.0 | American cranberry / Beer / Carrot / European cranberry / Olive, black / Olive, green / Strawberry | | Show Entry |
| 4-Hydroxybenzoic acid 4-O-glucoside | PHUB000296 | 300.084517475 | C13H16O8 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | p-hydroxybenzoic acid-O-glucoside | ![]() | XSSDYIMYZONMBL-UHFFFAOYSA-N | | 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid | 300.263 | 1.52e+01 g/l | -0.99 | 0.0 | Anise / Blackberry / Caraway / Coriander / Fennel / Red raspberry / Star anise / Strawberry | | Show Entry |
| Benzoic acid | PHUB000297 | 122.036779433 | C7H6O2 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | WPYMKLBDIGXBTP-UHFFFAOYSA-N | | benzoic acid | 122.123 | 7.08e+00 g/l | 1.72 | 0.0 | American cranberry | | Show Entry |
| Ellagic acid | PHUB000298 | 302.006267153 | C14H6O8 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | Benzoaric acid; Gallic acid dimer; Lagistase | ![]() | AFSDNFLWKVMVRB-UHFFFAOYSA-N | | ellagic acid | 302.194 | 8.23e-01 g/l | 1.59 | 0.0 | American cranberry / Blackberry / Common walnut / Cranberry / European chestnut / Grapes / Peach / Pecan nut / Pomegranate / Pomegranate juice / Red raspberry / Strawberry | Urolithin A / Urolithin A-3-glucuronide / Urolithin A-8-O-glucuronide / Urolithin B / Urolithin B-3-glucuronide / Urolithin C / Urolithin C-3-glucuronide / Urolithin D | Show Entry |
| Ellagic acid acetyl-arabinoside | PHUB000299 | 476.059090575 | C21H16O13 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 4-Acetyl-arabinosyl-ellagic acid; Ellagic acid 4-(4''-acetyl)-α-D-arabinopyranoside | ![]() | HRUPKKAITRRGMV-XEUURLQDSA-N | | (3S,4S,5R,6S)-4,5-dihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxan-3-yl acetate | 476.346 | 2.13e+00 g/l | 1.44 | 0.0 | | | Show Entry |
| Ellagic acid acetyl-xyloside | PHUB000300 | 476.059090575 | C21H16O13 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 4-Acetyl-xylosyl-ellagic acid; Ellagic acid 4-(4''-acetyl)-α-D-xylopyranoside | ![]() | HRUPKKAITRRGMV-ZMMKYTMGSA-N | | (3R,4R,5R,6S)-4,5-dihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxan-3-yl acetate | 476.346 | 2.13e+00 g/l | 1.44 | 0.0 | | | Show Entry |
| Ellagic acid arabinoside | PHUB000301 | 434.048525891 | C19H14O12 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 4-Arabinosyl-ellagic acid; Ellagic acid 4-α-L-arabinofuranoside | ![]() | KNURQRIPZJJYQO-CETNRSAQSA-N | | 7,13,14-trihydroxy-6-{[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione | 434.309 | 3.40e+00 g/l | 0.77 | 0.0 | | | Show Entry |
| Ellagic acid glucoside | PHUB000302 | 464.059090575 | C20H16O13 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | DOPSJTNYZLQUNU-GKFBVJRCSA-N | | 7,13,14-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione | 464.335 | 4.74e+00 g/l | 0.17 | 0.0 | Pomegranate juice / Strawberry | | Show Entry |
| Gallic acid | PHUB000303 | 170.021523293 | C7H6O5 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 3,4,5-Trihydroxybenzoic acid | ![]() | LNTHITQWFMADLM-UHFFFAOYSA-N | 149-91-7 | galop | 170.12 | 4.94e+00 g/l | 1.17 | 0.0 | Apple / Apple juice / Black tea / Blackberry / Chestnut / Green tea / Pomegranate juice | | Show Entry |
| Digallic acid | PHUB000304 | 322.032481902 | C14H10O9 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | Gallic acid 3-O-gallate | ![]() | COVFEVWNJUOYRL-UHFFFAOYSA-N | | digallic acid | 322.225 | 2.57e-01 g/l | 2.28 | 0.0 | | | Show Entry |
| Gallic acid 4-O-glucoside | PHUB000305 | 332.074346715 | C13H16O10 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | YPSNWSNUXIIKHO-YANYRWCTSA-N | | 3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid | 332.261 | 2.04e+01 g/l | -1.10 | 0.0 | | | Show Entry |
| Gallic acid ethyl ester | PHUB000306 | 198.052823422 | C9H10O5 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | Ethyl gallate | ![]() | VFPFQHQNJCMNBZ-UHFFFAOYSA-N | | ethyl gallate | 198.174 | 3.42e+00 g/l | 1.48 | 0.0 | | | Show Entry |
| Galloyl glucose | PHUB000307 | 332.074346715 | C13H16O10 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | KGHSLXLLBHRMML-PHSPRSPYSA-N | | (3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl 3,4,5-trihydroxybenzoate | 332.261 | 2.02e+01 g/l | -0.71 | 0.0 | Pomegranate juice | | Show Entry |
| Gentisic acid | PHUB000308 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 2,5-Dihydroxybenzoic acid; 5-Hydroxy-salicylic acid; hydroquinone carboxylic acid | ![]() | WXTMDXOMEHJXQO-UHFFFAOYSA-N | 490-79-9 | 2,5-dihydroxybenzoic acid | 154.121 | 1.23e+01 g/l | 1.23 | 0.0 | | | Show Entry |
| Guaiacol | PHUB000309 | 124.052429498 | C7H8O2 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 2-Methoxyphenol; Methylcatechol | ![]() | LHGVFZTZFXWLCP-UHFFFAOYSA-N | | guaiacol | 124.139 | 6.74e+01 g/l | 1.32 | 0.0 | | | Show Entry |
| Protocatechuic acid | PHUB000310 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 3,4-Dihydroxybenzoic acid | ![]() | YQUVCSBJEUQKSH-UHFFFAOYSA-N | 99-50-3 | 3,4-dihydroxybenzoic acid | 154.121 | 1.24e+01 g/l | 1.32 | 0.0 | Apple juice / Apricot / Cocoa / Olive, black / Olive, green / Onion | | Show Entry |
| Protocatechuic acid 4-O-glucoside | PHUB000311 | 316.079432095 | C13H16O9 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | HFFREILXLCWCQH-UHFFFAOYSA-N | | 3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid | 316.262 | 1.67e+01 g/l | -0.94 | 0.0 | | | Show Entry |
| Salicylic acid | PHUB000312 | 138.031694053 | C7H6O3 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 2-Hydroxybenzoic acid; o-Hydroxybenzoic acid | ![]() | YGSDEFSMJLZEOE-UHFFFAOYSA-N | | salicylic | 138.122 | 1.13e+01 g/l | 1.96 | 0.0 | American cranberry | | Show Entry |
| Syringic acid | PHUB000313 | 198.052823422 | C9H10O5 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 3,5-Dimethoxy-4-hydroxybenzoic acid; 4-Hydroxy-3,5-dimethoxybenzoic acid | ![]() | JMSVCTWVEWCHDZ-UHFFFAOYSA-N | 530-57-4 | syringic acid | 198.174 | 3.71e+00 g/l | 1.55 | 0.0 | Apple / Olive, black / Olive, green | | Show Entry |
| Theogallin | PHUB000314 | 344.074346715 | C14H16O10 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 3-Galloylquinic acid; 5-O-Galloylquinic acid | ![]() | LDPLFHGGZNSKDS-FTBFGRRBSA-N | | theogallin | 344.272 | 1.28e+01 g/l | -0.40 | 0.0 | Black tea / Green tea | | Show Entry |
| Valoneic acid dilactone | PHUB000315 | 470.012140382 | C21H10O13 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | | ![]() | BPAOAXAAABIQKR-UHFFFAOYSA-N | | 3,4,5-trihydroxy-2-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl}oxy)benzoic acid | 470.298 | 1.20e-01 g/l | 2.61 | 0.0 | | | Show Entry |
| Vanillic acid | PHUB000316 | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | Hydroxybenzoic acids | 3-Methoxy-4-hydroxybenzoic acid; 4-Hydroxy-3-methoxybenzoic acid; p-Vanillic acid | ![]() | WKOLLVMJNQIZCI-UHFFFAOYSA-N | 499-76-3 | vanillic acid | 168.148 | 5.70e+00 g/l | 1.70 | 0.0 | American cranberry / Olive, black / Olive, green / Strawberry / Vanilla / White wine | | Show Entry |
| Viniferin (delta-) | PHUB000317 | 454.141638428 | C28H22O6 | Polyphenols | Stilbenes | Not Available | Maximol A; trans-Gamma-viniferin | ![]() | LILPTCHQLRKZNG-LPGNHZEISA-N | | 5-[(2S,3S)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol | 454.478 | 2.10e-03 g/l | 4.56 | 0.0 | Red wine / rhubarb root | trans-δ-viniferin glucuronide / trans-δ-viniferin sulphate | Show Entry |
| Viniferin (Epsilon-) | PHUB000318 | 454.141638428 | C28H22O6 | Polyphenols | Stilbenes | Not Available | Epsilon-viniferin; Viniferin (Epsilon-) | ![]() | FQWLMRXWKZGLFI-YVYUXZJTSA-N | | epsilon-viniferin | 454.478 | 2.39e-03 g/l | 4.52 | 0.0 | Red wine / rhubarb root / Rosé wine / White wine | ε-viniferin glucuronide | Show Entry |
| Pallidol | PHUB000319 | 454.141638428 | C28H22O6 | Polyphenols | Stilbenes | Not Available | | ![]() | YNVJOQCPHWKWSO-ZBVBGGFBSA-N | | (1R,8R,9R,16R)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol | 454.478 | 5.64e-03 g/l | 3.71 | 0.0 | Grape wine / Red wine / rhubarb root | | Show Entry |
| Piceatannol | PHUB000320 | 244.073558866 | C14H12O4 | Polyphenols | Stilbenes | Not Available | 3,4,3',5'-Tetrahydroxystilbene; Astringinin | ![]() | CDRPUGZCRXZLFL-OWOJBTEDSA-N | | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol | 244.246 | 9.70e-02 g/l | 2.12 | 0.0 | Almond / Apple juice / Black tea / Blueberry / Camomile tea / Ceylon tea / Coffee / Deerberry / Dessert wine / Garden rhubarb / Grape juice / Green tea / Peach juice / Pomace / Red champagne / Red tea / Red wine / Red wine grape / Rosé wine / Tilia tea / White champagne / White wine / White wine grape | Rhapontigenin / Isorhapontigenin / Piceatannol-diglucuronide / Piceatannol-glucuronide / O-methyl piceatannol-monoglucuronide / O-methyl piceatannol-monosulfate / piceatannol-disulfate / piceatannol-sulfate | Show Entry |
| Piceatannol 3-O-glucoside | PHUB000321 | 406.126382288 | C20H22O9 | Polyphenols | Stilbenes | Not Available | Astringin; Astringinin 3-O-glucoside | ![]() | PERPNFLGJXUDDW-CUYWLFDKSA-N | | astringin | 406.387 | 7.35e-01 g/l | 0.44 | 0.0 | Red wine / White wine | | Show Entry |
| Pinosylvin | PHUB000322 | 212.083729626 | C14H12O2 | Polyphenols | Stilbenes | Not Available | 3,5-Dihydroxystilbene; Stilbene-3,5-diol | ![]() | YCVPRTHEGLPYPB-VOTSOKGWSA-N | | pinosylvin | 212.248 | 4.81e-02 g/l | 3.28 | 0.0 | Grape / Peanut | Resveratrol (trans-) / Resveratrol (cis-) / Pinosylvin-glucuronide | Show Entry |
| Pterostilbene | PHUB000323 | 256.109944375 | C16H16O3 | Polyphenols | Stilbenes | Not Available | 3,5-Dimethyl-resveratrol | ![]() | VLEUZFDZJKSGMX-ONEGZZNKSA-N | | pterostilbene | 256.301 | 1.10e-02 g/l | 3.48 | 0.0 | Blueberry / Coffee / Deerberry / Grape juice / Grape wine / Green tea / Red champagne / Red wine / White champagne / White wine | Pterostilbene-glucuronide / Pterostilbene sulfate / Mono-demethylated pterostilbene / Mono-demethylated pterostilbene glucuronide / Mono-demethylated pterostilbene sulfate / Mono-hydroxylated pterostilbene / Mono-hydroxylated pterostilbene glucuronide / Mono-hydroxylated pterostilbene sulfate / Mono-hydroxylated pterostilbene glucuronide sulfate / Pinostilbene | Show Entry |
| Resveratrol (trans-) | PHUB000324 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Not Available | (E)-resveratrol; 3,5,4'-Trihydroxystilbene | ![]() | LUKBXSAWLPMMSZ-OWOJBTEDSA-N | | resveratrol | 228.247 | 6.88e-02 g/l | 2.57 | 0.0 | Apple juice / Beer / Bilberry / Black tea / Blueberry / Camomile tea / Ceylon tea / Chocolate / Cocoa liquor / Coffee / Cranberry / Cranberry juice / Deerberry / Dessert wine / European cranberry / Green tea / Itadori tea / Lingonberry / Mulberry / Partridge berry / Peach juice / Peanut / Pistachio / Pomace / Red champagne / Red grape juice / Red tea / Red wine / Red wine grape / Rosé wine / Sparkleberry / Tilia tea / Tomato / White grape juice / White wine / White wine grape | Piceatannol / Piceid (trans-) / Resveratrol (cis-) / Dihydro-resveratrol / trans-Resveratrol 3-O-glucuronide / trans-Resveratrol 3-O-sulfate / Dihydro-resveratrol-3-O-glucuronide / trans-resveratrol-5-O-glucuronide / trans-Resveratrol-4′-O-glucuronide / resveratrol-4′-O-sulfate / resveratrol sulfoglucuronide / trans-Resveratrol-3,5-disulfate / trans-Resveratrol-3,4′-disulfate / trans-Resveratrol-3,4′,5-trisulfate / Dihydro-resveratrol-trisulfate / Resveratrol ribosyl sulfate / Dihydro-resveratrol-3,5-diglucuronide / Dihydro-resveratrol-sulfoglucuronide / 5-methoxyresveratrol-3-O-β-glucoside / 5-methoxyresveratrol-3-O-sulphate / Dihydro-resveratrol-disulfate / Resveratrol-glucoside-phosphate-glycerol / Piceid-glucuronide / Piceid-sulfate / resveratrol-glucoside-phosphate / Lunularine / 3,4'-dihydroxy-trans-stilbene / cis-Resveratrol-3-sulfate / cis-Resveratrol-4'-sulfate / cis-Resveratrol-3-O-glucuronide / cis-Resveratrol-4'-O-glucuronide / Resveratroloside / Dihydro-resveratrol sulfate / Dihydro-resveratrol-glucuronide / trans-resveratrol-4'-O-β-sulfate / Resveratrol disulfate / resveratrol glucuronide / resveratrol sulfate | Show Entry |
| Piceid (trans-) | PHUB000325 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Not Available | Polydatin; Resveratrol 3-O-glucoside | ![]() | HSTZMXCBWJGKHG-CUYWLFDKSA-N | | piceid | 390.388 | 7.66e-01 g/l | 0.65 | 0.0 | Almond / Apple / Beer / Chocolate / Cocoa liquor / Garden rhubarb / Itadori tea / Lentil coat / Lingonberry / Peanut / Pistachio / Pomace / Red grape juice / Red wine / Rosé wine / Strawberry / Tomato / White grape juice / White wine | Resveratrol (trans-) / Piceid (cis-) / Dihydro-resveratrol / trans-Resveratrol 3-O-sulfate / resveratrol-3-O-glucuronide / trans-resveratrol-5-O-glucuronide / trans-Resveratrol-4′-O-glucuronide / trans-Resveratrol-3,5-disulfate / trans-Resveratrol-3,4′-disulfate / Piceid-glucuronide / Piceid-sulfate / trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide / trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide / dihydro-piceid / resveratrol-sulfate / Dihydro-resveratrol sulfate | Show Entry |
| Resveratrol 5-O-glucoside | PHUB000326 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Not Available | | ![]() | HSTZMXCBWJGKHG-CUYWLFDKSA-N | | piceid | 390.388 | 7.66e-01 g/l | 0.65 | 0.0 | Lentil coat | | Show Entry |
| Rhapontigenin | PHUB000327 | 258.089208931 | C15H14O4 | Polyphenols | Stilbenes | Not Available | 3,3′,5′-Trihydroxy-4-methoxystilbene; RHA | ![]() | PHMHDRYYFAYWEG-NSCUHMNNSA-N | | 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol | 258.273 | 4.82e-02 g/l | 2.64 | 0.0 | Garden rhubarb | rhapontigenin glucuronide | Show Entry |
| Isorhapontigenin | PHUB000328 | 258.089208931 | C15H14O4 | Polyphenols | Stilbenes | Not Available | 4,3′,5′-Trihydroxy-3-methoxystilbene; ISOR | ![]() | ANNNBEZJTNCXHY-NSCUHMNNSA-N | | 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol | 258.273 | 4.66e-02 g/l | 2.64 | 0.0 | Garden rhubarb / Grape wine | | Show Entry |
| Viniferin 3',5'-diglucoside (Epsilon-) | PHUB000329 | 778.247285272 | C40H42O16 | Polyphenols | Stilbenes | Not Available | | ![]() | RPVPDEHWWUFGBW-DAFODLJHSA-N | | 2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 778.76 | 1.51e-01 g/l | 1.76 | 0.0 | Riesling wine | | Show Entry |
| Pallidol 3-O-glucoside | PHUB000330 | 616.19446185 | C34H32O11 | Polyphenols | Stilbenes | Not Available | | ![]() | LVYZAJNLNYSPIX-ARVGUIPYSA-N | | 2-(hydroxymethyl)-6-{[(1R,8R,9R,16R)-6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-4-yl]oxy}oxane-3,4,5-triol | 616.619 | 1.07e-01 g/l | 2.55 | 0.0 | Riesling wine | | Show Entry |
| Pallidol 3, 3''-diglucoside | PHUB000331 | 778.247285272 | C40H42O16 | Polyphenols | Stilbenes | Not Available | | ![]() | BYOGHJOVDNNJNN-OGXFPDPYSA-N | | 2-{[(1R,8R,9R,16R)-6,14-dihydroxy-8,16-bis(4-hydroxyphenyl)-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 778.76 | 3.89e-01 g/l | 1.52 | 0.0 | Riesling wine | | Show Entry |
| 2,4,6-Trihydroxyphenanthrene 2-O-glucoside | PHUB000332 | 388.115817604 | C20H20O8 | Polyphenols | Stilbenes | Not Available | | ![]() | OLRKGPYAYTYJGF-UHFFFAOYSA-N | | 2-[(4,6-dihydroxyphenanthren-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 388.372 | 1.15e+00 g/l | 0.70 | 0.0 | Riesling wine | | Show Entry |
| Oxyresveratrol | PHUB000333 | 244.073558866 | C14H12O4 | Polyphenols | Stilbenes | Not Available | 2,3',4,5'-Tetrahydroxy-trans-stilbene | ![]() | PDHAOJSHSJQANO-OWOJBTEDSA-N | | oxyresveratrol | 244.246 | 1.02e-01 g/l | 2.06 | 0.0 | Almond / Jackfruit / Mulberry / Red wine / Rosé wine / White mulberry / White wine | | Show Entry |
| Piceid (cis-) | PHUB000334 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Not Available | cis-resveratrol 3-beta-glucoside; Z-PICEID | ![]() | HSTZMXCBWJGKHG-MWQIQHPGSA-N | | (2S,4S,5S)-2-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 390.388 | 7.66e-01 g/l | 0.65 | 0.0 | Apple / Beer / Lingonberry / Pistachio / Red grape juice / Red wine / Rosé wine / Strawberry / Tomato / White grape juice / White wine | Resveratrol (cis-) | Show Entry |
| Resveratrol (cis-) | PHUB000335 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Not Available | (Z)-resveratrol; cis-3,4',5-trihydroxystilbene | ![]() | LUKBXSAWLPMMSZ-UPHRSURJSA-N | | cis-resveratrol | 228.247 | 6.88e-02 g/l | 2.57 | 0.0 | Apple juice / Beer / Black tea / Camomile tea / Ceylon tea / Cranberry / Cranberry juice / Dessert wine / Green tea / Peach juice / Pistachio / Red grape juice / Red tea / Red wine / Red wine grape / Rosé wine / Tilia tea / Tomato / White grape juice / White wine / White wine grape | Piceid (cis-) | Show Entry |
| Oxyresveratrol (cis-) | PHUB000336 | 244.073558866 | C14H12O4 | Polyphenols | Stilbenes | Not Available | cis-Oxyresveratrol | ![]() | PDHAOJSHSJQANO-UPHRSURJSA-N | | 4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol | 244.246 | 1.02e-01 g/l | 2.06 | 0.0 | Red wine / Rosé wine / White wine | | Show Entry |
| Piceatannol (cis-) | PHUB000337 | 244.073558866 | C14H12O4 | Polyphenols | Stilbenes | Not Available | | ![]() | CDRPUGZCRXZLFL-UPHRSURJSA-N | | 4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol | 244.246 | 9.70e-02 g/l | 2.12 | 0.0 | Red wine / Rosé wine / White wine | | Show Entry |
| Viniferin (cis-Epsilon-) | PHUB000338 | 454.141638428 | C28H22O6 | Polyphenols | Stilbenes | Not Available | (-)-epsilon-Viniferin; Iso-[epsilon]-viniferin | ![]() | FQWLMRXWKZGLFI-HQAJZZHBSA-N | | 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol | 454.478 | 2.39e-03 g/l | 4.52 | 0.0 | Red wine | | Show Entry |
| Resveratrol 4'-glucoside | PHUB000339 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Not Available | | ![]() | RUOKEYJFAJITAG-QBPIKYQOSA-N | | (2S,4S,6R)-2-{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 390.388 | 6.64e-01 g/l | 0.69 | 0.0 | | | Show Entry |
| Viniferin-alpha | PHUB000340 | 678.188982546 | C42H30O9 | Polyphenols | Stilbenes | Not Available | | ![]() | KUTVNHOAKHJJFL-ZSIJVUTGSA-N | | (2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(24),5(27),6,8,13(26),14,16,21(25),22-nonaene-7,15,23-triol | 678.693 | 2.36e-03 g/l | 5.91 | 0.0 | Riesling wine | | Show Entry |
| Parthenocissin A | PHUB000341 | 454.141638428 | C28H22O6 | Polyphenols | Stilbenes | Not Available | | ![]() | BIQMSWPBPAKGSE-RVMRZQENSA-N | | (1Z,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol | 454.478 | 3.36e-03 g/l | 4.08 | 0.0 | Red wine | | Show Entry |
| Miyabenol C | PHUB000342 | 680.20463261 | C42H32O9 | Polyphenols | Stilbenes | Not Available | | ![]() | RKFYYCKIHVEWHX-ZSIDMBOMSA-N | | 5-{6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol | 680.709 | 1.10e-03 g/l | 5.95 | 0.0 | | | Show Entry |
| Antheraxanthin | PHUB000343 | 584.422945663 | C40H56O3 | Terpenoids | Carotenoids | Not Available | | ![]() | OFNSUWBAQRCHAV-OYQUVCAXSA-N | 640-03-9 | antheraxanthin | 584.885 | 6.58e-04 g/l | 8.37 | 0.0 | Bell pepper (Capsicum annuum, mild varieties) / Paprika | | Show Entry |
| Astaxanthin | PHUB000344 | 596.386560154 | C40H52O4 | Terpenoids | Carotenoids | Not Available | | ![]() | MQZIGYBFDRPAKN-UWFIBFSHSA-N | 472-61-7 | astaxanthin | 596.852 | 6.67e-04 g/l | 7.40 | 0.0 | Crustaceans / Pink salmon | | Show Entry |
| Canthaxanthin | PHUB000345 | 564.396730914 | C40H52O2 | Terpenoids | Carotenoids | Not Available | | ![]() | FDSDTBUPSURDBL-DKLMTRRASA-N | 514-78-3 | canthaxanthin | 564.854 | 4.61e-04 g/l | 8.71 | 0.0 | Common mushroom | | Show Entry |
| Capsanthin | PHUB000346 | 584.422945663 | C40H56O3 | Terpenoids | Carotenoids | Not Available | | ![]() | VYIRVAXUEZSDNC-RDJLEWNRSA-N | 465-42-9 | paprika extract | 584.885 | 6.77e-04 g/l | 8.20 | 0.0 | Bell pepper (Capsicum annuum, mild varieties) / Paprika | | Show Entry |
| Capsorubin | PHUB000347 | 600.417860283 | C40H56O4 | Terpenoids | Carotenoids | Not Available | | ![]() | GVOIABOMXKDDGU-YUURSNASSA-N | 470-38-2 | capsorubin | 600.884 | 7.28e-04 g/l | 7.43 | 0.0 | Bell pepper (Capsicum annuum, mild varieties) / Paprika | | Show Entry |
| Carotene 5,6-epoxide (beta-) | PHUB000348 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | 5,6-Epoxy-beta-carotene | ![]() | RVCRIPILOFSMFG-WWSVUWEKSA-N | | β-carotene 5,6-epoxide | 552.887 | 2.46e-04 g/l | 9.83 | 0.0 | Apple / Mango / Papaya / Sweet orange | | Show Entry |
| Carotene-alpha | PHUB000349 | 536.438201792 | C40H56 | Terpenoids | Carotenoids | Not Available | Carotene ((6'R)-beta,epsilon-) | ![]() | ANVAOWXLWRTKGA-NTXLUARGSA-N | 432-70-2 | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene | 536.8726 | 3.07e-04 g/l | 9.79 | 0.0 | Banana / Bell pepper (Capsicum annuum, mild varieties) / Broccoli / Carrot / Common pea / Tomato | | Show Entry |
| Carotene-beta | PHUB000350 | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Not Available | Carotene | ![]() | OENHQHLEOONYIE-JLTXGRSLSA-N | 7235-40-7 | β-carotene | 536.888 | 3.91e-04 g/l | 9.72 | 0.0 | Apricot / Banana / Bell pepper (Capsicum annuum, mild varieties) / Broccoli / Brussel sprouts / Carrot / Cherry tomato / Common cabbage / Common pea / Common sage / Endive / European plum / Garden cress / Green bean / Guava / Hot chili (Capsicum annuum, C. frutescens) / Kale / Ketchup / Leek / Lettuce / Mango / Nectarine / Papaya / Parsley / Peach / Pineapple / Pistachio / Pumpkin / Spinach / Sweet basil / Sweet orange / Sweet potato / Tomato / Watermelon | Retinal | Show Entry |
| Carotene-gamma | PHUB000351 | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Not Available | | ![]() | HRQKOYFGHJYEFS-BXOLYSJBSA-N | 472-93-5 | gamma-carotene | 536.888 | 3.77e-04 g/l | 9.59 | 0.0 | Apricot / Bell pepper (Capsicum annuum, mild varieties) / Carrot / Common persimmon / Corn / Tomato | | Show Entry |
| Carotene-zeta | PHUB000352 | 540.469501932 | C40H60 | Terpenoids | Carotenoids | Not Available | | ![]() | BIWLELKAFXRPDE-WTXAYMOSSA-N | 72746-33-9 | all-trans-zeta-carotene | 540.92 | 3.37e-04 g/l | 9.38 | 0.0 | Apple / Carrot / Corn / Papaya / Sweet orange / Tomato / Vaccinium (Blueberry, Cranberry, Huckleberry) | | Show Entry |
| Crocetin | PHUB000353 | 328.167459253 | C20H24O4 | Terpenoids | Carotenoids | Not Available | | ![]() | PANKHBYNKQNAHN-MQQNZMFNSA-N | 27876-94-4 | crocetin | 328.408 | 5.58e-03 g/l | 4.54 | 0.0 | Saffron | | Show Entry |
| Crocin | PHUB000354 | 976.378752941 | C44H64O24 | Terpenoids | Carotenoids | Not Available | Crocetin digentiobioside; Crocin-alpha | ![]() | SEBIKDIMAPSUBY-RTJKDTQDSA-N | | bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate | 976.972 | 5.67e-01 g/l | -0.02 | 0.0 | Saffron | | Show Entry |
| Cryptoxanthin-alpha | PHUB000355 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | | ![]() | ORAKUVXRZWMARG-XBBNTEQGSA-N | | (1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol | 552.887 | 5.14e-04 g/l | 9.10 | 0.0 | Apricot / Avocado / Corn / Grapefruit | | Show Entry |
| Cryptoxanthin-beta | PHUB000356 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | Caricaxanthin; Cryptoxanthin; Cryptoxanthol | ![]() | DMASLKHVQRHNES-FKKUPVFPSA-N | | cryptoxanthin | 552.887 | 5.03e-04 g/l | 9.08 | 0.0 | Apricot / Bell pepper (Capsicum annuum, mild varieties) / Common sage / Corn / Dill / Guava / Mandarin orange (Clementine, Tangerine) / Mango / Orange juice / Papaya / Pineapple / Pumpkin / Sweet basil / Sweet orange / Watermelon | | Show Entry |
| Echinenone | PHUB000357 | 550.417466359 | C40H54O | Terpenoids | Carotenoids | Not Available | | ![]() | QXNWZXMBUKUYMD-QQGJMDNJSA-N | | echinenone | 550.871 | 4.61e-04 g/l | 9.22 | 0.0 | Algae | | Show Entry |
| Flavoxanthin | PHUB000358 | 584.422945663 | C40H56O3 | Terpenoids | Carotenoids | Not Available | | ![]() | JRHJXXLCNATYLS-NGZWBNMCSA-N | | flavoxanthin | 584.885 | 7.82e-04 g/l | 8.13 | 0.0 | Elderberry / European plum | | Show Entry |
| Fucoxanthin | PHUB000359 | 658.423339588 | C42H58O6 | Terpenoids | Carotenoids | Not Available | | ![]() | SJWWTRQNNRNTPU-XJUZQKKNSA-N | | fucoxanthin | 658.92 | 5.75e-04 g/l | 7.54 | 0.0 | Algae | | Show Entry |
| Lactucaxanthin | PHUB000360 | 568.428031043 | C40H56O2 | Terpenoids | Carotenoids | Not Available | | ![]() | BIPAHAFBQLWRMC-SUOWZELTSA-N | | lactucaxanthin | 568.886 | 8.14e-04 g/l | 8.31 | 0.0 | Lettuce | | Show Entry |
| Lutein | PHUB000361 | 568.428031043 | C40H56O2 | Terpenoids | Carotenoids | Not Available | | ![]() | KBPHJBAIARWVSC-RGZFRNHPSA-N | | carotenoid | 568.886 | 7.32e-04 g/l | 8.29 | 0.0 | Apricot / Avocado / Banana / Bell pepper (Capsicum annuum, mild varieties) / Broccoli / Carrot / Common cabbage / Common pea / Common sage / Corn / Cucumber / Dill / Egg yolk / Endive / European plum / Garden cress / Kale / Leek / Lettuce / Olive oil / Papaya / Parsley / Peach / Pineapple / Pistachio / Pumpkin / Spinach / Tomato / Vaccinium (Blueberry, Cranberry, Huckleberry) | | Show Entry |
| Lutein 5,6-epoxide | PHUB000362 | 584.422945663 | C40H56O3 | Terpenoids | Carotenoids | Not Available | Taraxanthin | ![]() | DYUUPIKEWLHQGQ-FJOIUHRLSA-N | | lutein 5,6-epoxide | 584.885 | 8.24e-04 g/l | 8.39 | 0.0 | Grape | | Show Entry |
| Lycopene | PHUB000363 | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Not Available | all-trans lycopene | ![]() | OAIJSZIZWZSQBC-GYZMGTAESA-N | | lycopene | 536.888 | 3.97e-04 g/l | 9.16 | 0.0 | Cherry tomato / Fig / Guava / Ketchup / Mango / Papaya / Persimmon / Pineapple / Pumpkin / Tomato / Watermelon | | Show Entry |
| Lycoxanthin | PHUB000364 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | | ![]() | IFTRFNLCKUZSNG-SFEKFZNLSA-N | | lycoxanthin | 552.887 | 4.71e-04 g/l | 8.76 | 0.0 | Tomato | | Show Entry |
| Mutatochrome | PHUB000365 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | carotene 5,8-epoxide (beta-) | ![]() | GFPJSSAOISEBQL-FZKBJVJCSA-N | | mutatochrome | 552.887 | 3.22e-04 g/l | 9.72 | 0.0 | Papaya / Sweet orange / Tomato | | Show Entry |
| Neoxanthin | PHUB000366 | 600.41786028 | C40H56O4 | Terpenoids | Carotenoids | Not Available | | ![]() | PGYAYSRVSAJXTE-MTYISEJWSA-N | | all-trans-neoxanthin | 600.8702 | 8.77e-04 g/l | 7.85 | 0.0 | Apple / Bell pepper (Capsicum annuum, mild varieties) / Common pea / Corn salad / Endive / European plum / Leek / Peach / Rocket salad / Spinach | | Show Entry |
| Physalien | PHUB000367 | 1044.887362215 | C72H116O4 | Terpenoids | Carotenoids | Not Available | | ![]() | XACHQDDXHDTRLX-XLVVAOPESA-N | | zeaxanthin dipalmitate | 1045.716 | 6.15e-05 g/l | 11.01 | 0.0 | Groundcherry | | Show Entry |
| Rubixanthin | PHUB000368 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | carotene (3-hydroxy-gamma-) | ![]() | ABTRFGSPYXCGMR-AXXBKCDFSA-N | | rubixanthin | 552.887 | 5.23e-04 g/l | 8.92 | 0.0 | Mandarin orange (Clementine, Tangerine) | | Show Entry |
| Violaxanthin | PHUB000369 | 600.417860283 | C40H56O4 | Terpenoids | Carotenoids | Not Available | Zeaxanthin diepoxide | ![]() | SZCBXWMUOPQSOX-WVJDLNGLSA-N | | violaxanthin | 600.884 | 5.68e-04 g/l | 8.33 | 0.0 | Algae / Bell pepper (Capsicum annuum, mild varieties) / Common cabbage / Common pea / Corn salad / Endive / Leek / Lettuce / Mango / Paprika / Peach / Rocket salad / Spinach | | Show Entry |
| Zeaxanthin | PHUB000370 | 568.428031043 | C40H56O2 | Terpenoids | Carotenoids | Not Available | | ![]() | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | | zeaxanthin | 568.886 | 6.49e-04 g/l | 8.30 | 0.0 | Algae / Apricot / Bell pepper (Capsicum annuum, mild varieties) / Carrot / Celeriac / Corn / Kale / Lettuce / Spinach | | Show Entry |
| 6-Geranylnaringenin | PHUB000371 | 408.193674002 | C25H28O5 | Polyphenols | Flavonoids | Flavanones | 5,7,4'-Trihydroxy-6-geranylflavanone; Bonannione A; Mimulone | ![]() | XYIQIBWIEGCVQY-FRKPEAEDSA-N | | bonannione A | 408.494 | 3.39e-03 g/l | 4.84 | 0.0 | | | Show Entry |
| 6-Prenylnaringenin | PHUB000372 | 340.131073744 | C20H20O5 | Polyphenols | Flavonoids | Miscellaneous flavonoids | 5,7,4'-Trihydroxy-6-prenylflavanone | ![]() | YHWNASRGLKJRJJ-UHFFFAOYSA-N | | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one | 340.375 | 1.53e-02 g/l | 3.17 | 0.0 | | | Show Entry |
| 8-Prenylnaringenin | PHUB000373 | 340.131073744 | C20H20O5 | Polyphenols | Flavonoids | Miscellaneous flavonoids | 5,7,4'-Trihydroxy-8-prenylflavanone; Isobavachin | ![]() | LPEPZZAVFJPLNZ-SFHVURJKSA-N | | | 340.375 | | | 0.0 | | | Show Entry |
| 6,8-Diprenylnaringenin | PHUB000374 | 408.193674002 | C25H28O5 | Polyphenols | Flavonoids | Flavanones | Lonchocarpol A; Senegalensein | ![]() | HCNLDGTUMBOHKT-UHFFFAOYSA-N | | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one | 408.494 | 5.75e-03 g/l | 4.50 | 0.0 | | | Show Entry |
| Betagarin | PHUB000375 | 328.094688235 | C18H16O6 | Polyphenols | Flavonoids | Flavanones | | ![]() | IHPVFYLOGNNZLA-ZDUSSCGKSA-N | | betagarin | 328.32 | 4.62e-02 g/l | 2.20 | 0.0 | | | Show Entry |
| Didymin | PHUB000376 | 594.194855775 | C28H34O14 | Polyphenols | Flavonoids | Flavanones | Isosakuranetin 7-rutinoside | ![]() | RMCRQBAILCLJGU-SMCKTMTRSA-N | | didymin | 594.566 | 2.01e+00 g/l | -0.11 | 0.0 | Orange juice | | Show Entry |
| Eriocitrin | PHUB000377 | 596.17412033 | C27H32O15 | Polyphenols | Flavonoids | Flavanones | Eriodictyol 7-O-rutinoside | ![]() | OMQADRGFMLGFJF-GDRLQRQZSA-N | | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one | 596.538 | 3.53e+00 g/l | -0.35 | 0.0 | Lemon / Lime | Hesperetin / Dihydrocaffeic acid / Dihydrocaffeic acid glucuronide / Eriodictyol 7-O-glucuronide / Hesperetin glucuronide / Homoeriodictyol / Homoeriodictyol glucuronide | Show Entry |
| Eriodictyol | PHUB000378 | 288.063388106 | C15H12O6 | Polyphenols | Flavonoids | Flavanones | 5,7,3',4'-Tetrahydroxyflavanone | ![]() | SBHXYTNGIZCORC-UHFFFAOYSA-N | | eriodictyol | 288.255 | 3.66e-01 g/l | 2.15 | 0.0 | | Hesperetin / Dihydrocaffeic acid / Dihydrocaffeic acid glucuronide / Eriodictyol 7-O-glucuronide / Hesperetin glucuronide / Homoeriodictyol / Homoeriodictyol glucuronide / Phloroglucinol | Show Entry |
| Eriodictyol 7-O-glucoside | PHUB000379 | 450.116211528 | C21H22O11 | Polyphenols | Flavonoids | Flavanones | | ![]() | RAFHNDRXYHOLSH-MMQMLBMASA-N | | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one | 450.396 | 1.77e+00 g/l | 0.00 | 0.0 | | | Show Entry |
| Hesperetin | PHUB000380 | 302.079038171 | C16H14O6 | Polyphenols | Flavonoids | Flavanones | 4'-Methyleriodictyol; 5,7,3'-Trihydroxy-4'-methoxyflavanone | ![]() | AIONOLUJZLIMTK-UHFFFAOYSA-N | | hesperetine | 302.282 | 1.38e-01 g/l | 2.52 | 0.0 | Lemon / Lime / Orange juice / Sweet orange | Eriodictyol / 3-(3'-Hydroxyphenyl)propionic acid / Hesperetin 3',7-O-diglucuronide / Hesperetin 3'-O-glucuronide / Hesperetin 3'-O-sulfate / Hesperetin 5,7-O-diglucuronide / Hesperetin 7-O-glucuronide / Hesperetin sulfoglucuronide / Homoeriodictyol / Homoeriodictyol 4'-O-glucuronide / Homoeriodictyol 7-O-glucuronide / Homoeriodictyol O-sulfate / Phloroglucinol / 4-Hydroxyhippuric acid / Dihydroisoferulic acid / Dihydroisoferulic acid-3'-O-glucuronide | Show Entry |
| Hesperidin | PHUB000381 | 610.189770395 | C28H34O15 | Polyphenols | Flavonoids | Flavanones | Ciratin; Hesperetin 7-O-rutinoside | ![]() | QUQPHWDTPGMPEX-LLHRBZKSSA-N | | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one | 610.565 | 2.69e+00 g/l | -0.27 | 0.0 | Grapefruit juice / Orange juice | Hesperetin / 3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid / Hesperetin 3',7-O-diglucuronide / Hesperetin 3'-O-glucuronide / Hesperetin 3'-O-sulfate / Hesperetin 5,7-O-diglucuronide / Hesperetin 7-O-glucuronide / Hesperetin sulfoglucuronide / Hesperetin-O-sulfate / Dihydroisoferulic acid | Show Entry |
| Isosakuranetin | PHUB000382 | 286.084123551 | C16H14O5 | Polyphenols | Flavonoids | Flavanones | 4'-Methylnaringenin; Citrofoliol | ![]() | HMUJXQRRKBLVOO-UHFFFAOYSA-N | | isosakuranetin | 286.283 | 8.79e-02 g/l | 2.95 | 0.0 | | | Show Entry |
| Isosakuranin | PHUB000383 | 448.136946973 | C22H24O10 | Polyphenols | Flavonoids | Flavanones | | ![]() | KEEWIHDTSNESJZ-NKGQIIMOSA-N | | isosakuranin | 448.424 | 1.02e+00 g/l | 0.47 | 0.0 | | | Show Entry |
| Isoxanthohumol | PHUB000384 | 354.146723808 | C21H22O5 | Polyphenols | Flavonoids | Miscellaneous flavonoids | 5-Methyl-8-prenylnaringenin; 7,4'-Dihydroxy-5-methoxy-8-prenylflavanone | ![]() | YKGCBLWILMDSAV-UHFFFAOYSA-N | | isoxanthohumol(sophora) | 354.402 | 1.42e-02 g/l | 3.25 | 0.0 | Beer | 8-Prenylnaringenin | Show Entry |
| Liquiritin | PHUB000385 | 418.126382288 | C21H22O9 | Polyphenols | Flavonoids | Flavanones | Liquiritigenin 4'-O-glucoside | ![]() | DEMKZLAVQYISIA-UZQFATADSA-N | | liquiritin | 418.398 | 9.79e-01 g/l | 0.43 | 0.0 | | | Show Entry |
| Liquiritigenin | PHUB000386 | 256.073558866 | C15H12O4 | Polyphenols | Flavonoids | Flavanones | 7,4'-Dihydroxyflavanone | ![]() | FURUXTVZLHCCNA-UHFFFAOYSA-N | | 5-deoxyflavanone | 256.257 | 1.33e-01 g/l | 2.79 | 0.0 | Liquorice | | Show Entry |
| Naringenin | PHUB000387 | 272.068473486 | C15H12O5 | Polyphenols | Flavonoids | Flavanones | 5,7,4'-Trihydroxyflavanone | ![]() | FTVWIRXFELQLPI-UHFFFAOYSA-N | | | 272.256 | 2.14e-01 g/l | 2.47 | 0.0 | Cherry tomato / Grapefruit / Grapefruit juice / Sweet orange / Tomato | Coumaric acid (p-) / Dihydro-p-coumaric acid / 3-Phenylpropionic acid / Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronide / Naringenin O-diglucuronide / Naringenin O-sulfate / Naringenin O-sulfo-O-glucuronide / Phloroglucinol | Show Entry |
| Prunin | PHUB000388 | 434.121296908 | C21H22O10 | Polyphenols | Flavonoids | Flavanones | Naringenin 7-O-glucoside | ![]() | DLIKSSGEMUFQOK-RGHIGTIISA-N | | 5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one | 434.397 | 1.53e+00 g/l | 0.17 | 0.0 | | Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronide | Show Entry |
| Naringin | PHUB000389 | 580.17920571 | C27H32O14 | Polyphenols | Flavonoids | Flavanones | Naringenin 7-O-neohesperidoside; Naringenin 7-O-rhamnoglucoside | ![]() | DFPMSGMNTNDNHN-JJLSSNRUSA-N | | 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one | 580.539 | 4.06e+00 g/l | -0.24 | 0.0 | Grapefruit / Grapefruit juice / Lemon / Lime / Sour orange / Sweet orange | Dihydro-p-coumaric acid / 3-Phenylpropionic acid / Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronide | Show Entry |
| Naringenin 4'-O-glucoside | PHUB000390 | 434.121296908 | C21H22O10 | Polyphenols | Flavonoids | Flavanones | | ![]() | KSDSYIXRWHRPMN-UHFFFAOYSA-N | | 5,7-dihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one | 434.397 | 1.30e+00 g/l | 0.21 | 0.0 | | | Show Entry |
| Naringin 6'-malonate | PHUB000391 | 666.179599635 | C30H34O17 | Polyphenols | Flavonoids | Flavanones | Naringenin 7-O-(6""-malonate-neohesperidoside) | ![]() | YCOQCRMFNLZUCL-UHFFFAOYSA-N | | 3-[(3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-oxopropanoic acid | 666.585 | 1.93e+00 g/l | 0.39 | 0.0 | Grapefruit juice | | Show Entry |
| Narirutin | PHUB000392 | 580.17920571 | C27H32O14 | Polyphenols | Flavonoids | Flavanones | Naringenin 7-O-rutinoside | ![]() | HXTFHSYLYXVTHC-TUURGLJWSA-N | | 5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one | 580.539 | 3.08e+00 g/l | -0.35 | 0.0 | Grapefruit / Grapefruit juice / Orange juice / Sweet orange | Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronide / Naringenin O-diglucuronide | Show Entry |
| Narirutin 4'-O-glucoside | PHUB000393 | 742.232029132 | C33H42O19 | Polyphenols | Flavonoids | Flavanones | | ![]() | KQUWJUNIYQVHCG-UHFFFAOYSA-N | | 5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one | 742.68 | 5.04e+00 g/l | -0.92 | 0.0 | | | Show Entry |
| Neoeriocitrin | PHUB000394 | 596.17412033 | C27H32O15 | Polyphenols | Flavonoids | Flavanones | Eriodictyol 7-O-neohesperidoside | ![]() | OBKKEZLIABHSGY-BEDUMGIKSA-N | | 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydro-1-benzopyran-4-one | 596.538 | 4.42e+00 g/l | -0.36 | 0.0 | | | Show Entry |
| Neohesperidin | PHUB000395 | 610.189770395 | C28H34O15 | Polyphenols | Flavonoids | Flavanones | Hesperetin 7-O-neohesperidoside | ![]() | ARGKVCXINMKCAZ-NXNSLOOGSA-N | | 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one | 610.565 | 3.37e+00 g/l | -0.27 | 0.0 | | | Show Entry |
| Pinocembrin | PHUB000396 | 256.073558866 | C15H12O4 | Polyphenols | Flavonoids | Flavanones | 5,7-Dihydroxyflavanone; Dihydrochrysin | ![]() | URFCJEUYXNAHFI-UHFFFAOYSA-N | | pinocembrin | 256.257 | 1.88e-01 g/l | 2.85 | 0.0 | | | Show Entry |
| Poncirin | PHUB000397 | 594.194855775 | C28H34O14 | Polyphenols | Flavonoids | Flavanones | Citrifolioside; Isosakuranetin 7-O-neohesperidoside | ![]() | NLAWPKPYBMEWIR-YZOWQMJMSA-N | | 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one | 594.566 | 2.32e+00 g/l | -0.13 | 0.0 | | | Show Entry |
| Sakuranetin | PHUB000398 | 286.084123551 | C16H14O5 | Polyphenols | Flavonoids | Flavanones | 5,4'-Dihydroxy-7-methoxyflavanone; 7-Methylnaringenin | ![]() | DJOJDHGQRNZXQQ-UHFFFAOYSA-N | | sakuranetin | 286.283 | 8.83e-02 g/l | 2.86 | 0.0 | | | Show Entry |
| Butin | PHUB000399 | 272.068473486 | C15H12O5 | Polyphenols | Flavonoids | Flavanones | 7,3',4'-Trihydroxyflavanone | ![]() | MJBPUQUGJNAPAZ-UHFFFAOYSA-N | | 7,3',4'-trihydroxyflavanone | 272.256 | 1.88e-01 g/l | 2.55 | 0.0 | | | Show Entry |
| Garbanzol | PHUB000400 | 272.068473486 | C15H12O5 | Polyphenols | Flavonoids | Flavanones | 3,7,4'-Trihydroxyflavanone | ![]() | VRTGGIJPIYOHGT-MLCCFXAWSA-N | | (3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one | 272.256 | 6.99e-01 g/l | 1.40 | 0.0 | | | Show Entry |
| Glabranin | PHUB000401 | 324.136159124 | C20H20O4 | Polyphenols | Flavonoids | Flavanones | | ![]() | DAWSYIQAGQMLFS-UHFFFAOYSA-N | | 5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one | 324.376 | 1.69e-02 g/l | 3.59 | 0.0 | | | Show Entry |
| Eriodictyol-6-C-glucoside | PHUB000402 | 450.116211528 | C21H22O11 | Polyphenols | Flavonoids | Flavanones | | ![]() | FNJRUYGFVNGXTL-UHFFFAOYSA-N | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzopyran-4-one | 450.396 | 3.18e+00 g/l | -0.10 | 0.0 | Rooibos tea | Eriodictyol O-glucuronide / Eriodictyol O-sulfate | Show Entry |
| Eriodictyol-8-C-glucoside | PHUB000403 | 450.116211528 | C21H22O11 | Polyphenols | Flavonoids | Flavanones | | ![]() | CMVYWFJFAHQVQP-GJNDOSSTSA-N | | 8-C-glucopyranosyleriodictylol | 450.396 | 3.25e+00 g/l | -0.17 | 0.0 | Rooibos tea | Eriodictyol O-glucuronide / Eriodictyol O-sulfate | Show Entry |
| Betalamic acid | PHUB000404 | 211.048072394 | C9H9NO5 | N-containing compounds | Alkaloids | Betalains | 4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid | ![]() | YQDKULBMDMPFLH-FSRBREEPSA-N | | betalamic acid | 211.173 | 4.72e+00 g/l | 0.53 | 0.0 | | | Show Entry |
| Betanin | PHUB000405 | 550.143488905 | C24H26N2O13 | N-containing compounds | Alkaloids | Betalains | betanidin 5-O-beta-glucoside | ![]() | DHHFDKNIEVKVKS-FMOSSLLZSA-N | 7659-95-2 | | 550.473 | 5.00e-01 g/l | 0.21 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Isobetanin | PHUB000406 | 550.143488928 | C24H26N2O13 | N-containing compounds | Alkaloids | Betalains | isobetanidin 5-O-beta-glucoside | ![]() | DHHFDKNIEVKVKS-RYGANQNKSA-N | 15121-53-6 | (1E,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate | 550.4688 | 5.00e-01 g/l | 0.21 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Betanidin | PHUB000407 | 388.090665483 | C18H16N2O8 | N-containing compounds | Alkaloids | Betalains | | ![]() | XHJKHSXHWJCBLX-DGCLKSJQSA-N | 2181-76-2 | | 388.332 | | | 0.0 | Swiss chard | | Show Entry |
| Isobetanidin | PHUB000408 | 389.097941936 | C18H17N2O8 | N-containing compounds | Alkaloids | Betalains | | ![]() | XHJKHSXHWJCBLX-AAEUAGOBSA-O | | (1E,2S)-2-carboxy-1-{2-[(2S,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 389.339 | 4.73e-02 g/l | 0.86 | 0.0 | Swiss chard | | Show Entry |
| Neobetanin | PHUB000409 | 548.127838841 | C24H24N2O13 | N-containing compounds | Alkaloids | Betalains | neobetanidin 5-O-beta-glucoside | ![]() | JGRJFJIJVQCUMW-KPIVEDDKSA-N | 71199-29-6 | 4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid | 548.457 | 1.14e+00 g/l | -0.15 | 0.0 | | | Show Entry |
| 2-decarboxy-betanin | PHUB000410 | 507.160936118 | C23H27N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | LHFIVCHVGBRMCE-MYXJXEHFSA-O | | (1E)-1-{2-[(2R,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 507.471 | 4.91e-01 g/l | -0.89 | 0.0 | | | Show Entry |
| 2-decarboxy-isobetanin | PHUB000411 | 507.160936118 | C23H27N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | LHFIVCHVGBRMCE-IMUROLJVSA-O | | (1E)-1-{2-[(2S,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 507.471 | 4.91e-01 g/l | -0.89 | 0.0 | | | Show Entry |
| 2-decarboxy-neobetanin | PHUB000412 | 506.153659665 | C23H26N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | QEEUPPGOYYSBBM-BESWIXOSSA-N | 852290-56-3 | | 506.464 | 1.85e+00 g/l | -1.32 | 0.0 | | | Show Entry |
| 17-decarboxy-betanin | PHUB000413 | 507.160936118 | C23H27N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | ODZSVTKJEOTEJA-MZZFHJFRSA-O | | (1E,2R)-2-carboxy-1-{2-[(2R,4E)-2-carboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 507.471 | 7.87e-01 g/l | -0.09 | 0.0 | | | Show Entry |
| 17-decarboxy-isobetanin | PHUB000414 | 507.160936118 | C23H27N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | ODZSVTKJEOTEJA-LQBZLAGRSA-O | | (1E,2R)-2-carboxy-1-{2-[(2S,4E)-2-carboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 507.471 | 7.87e-01 g/l | -0.09 | 0.0 | | | Show Entry |
| 17-decarboxy-neobetanin | PHUB000415 | 504.138009601 | C23H24N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | WJEMSCKDKUZHHE-JSBLLWMQSA-N | | (2S)-1-[(E)-2-(2-carboxypyridin-4-yl)ethenyl]-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid | 504.448 | 1.43e+00 g/l | -0.22 | 0.0 | | | Show Entry |
| 15-decarboxy-betanin | PHUB000416 | 507.160936118 | C23H27N2O11 | N-containing compounds | Alkaloids | Betalains | | ![]() | TUFCRSJUUGMVTK-PULKIMFOSA-O | | (1E,2R)-2-carboxy-1-{2-[(4E)-2-carboxy-5,6-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 507.471 | 7.73e-01 g/l | 0.18 | 0.0 | | | Show Entry |
| 2,17-didecarboxy-betanin | PHUB000417 | 463.171106878 | C22H27N2O9 | N-containing compounds | Alkaloids | Betalains | | ![]() | XEDJMNDIFSUTPP-IASSRYRMSA-O | | (1E)-1-{2-[(2R,4E)-2-carboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 463.462 | 4.83e-01 g/l | -1.66 | 0.0 | | | Show Entry |
| 2,17-didecarboxy-isobetanin | PHUB000418 | 463.171106878 | C22H27N2O9 | N-containing compounds | Alkaloids | Betalains | | ![]() | XEDJMNDIFSUTPP-GMYKNNPYSA-O | | (1E)-1-{2-[(2S,4E)-2-carboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 463.462 | 4.83e-01 g/l | -1.66 | 0.0 | | | Show Entry |
| 2,17-didecarboxy-neobetanin | PHUB000419 | 462.163830425 | C22H26N2O9 | N-containing compounds | Alkaloids | Betalains | | ![]() | OUFNNXJRFIGQFM-RXHCNIIASA-N | 852290-55-2 | | 462.455 | 2.26e+00 g/l | -0.81 | 0.0 | | | Show Entry |
| 2,15,17-tridecarboxy-betanin | PHUB000420 | 419.181277638 | C21H27N2O7 | N-containing compounds | Alkaloids | Betalains | | ![]() | RFMZQOJPTYAVAR-AWGDKMGJSA-O | | (1E)-1-{2-[(4E)-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium | 419.453 | 5.45e-01 g/l | -1.57 | 0.0 | | | Show Entry |
| 2,15,17-tridecarboxy-neobetanin | PHUB000421 | 416.158351121 | C21H24N2O7 | N-containing compounds | Alkaloids | Betalains | | ![]() | BMUOFBGZOHQQKC-KVOCSKHESA-N | | (3R,4S,5S,6R)-2-({6-hydroxy-1-[(E)-2-(pyridin-4-yl)ethenyl]-2,3-dihydroindol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol | 416.43 | 3.32e+00 g/l | 0.16 | 0.0 | | | Show Entry |
| Prebetanin | PHUB000422 | 630.100303939 | C24H26N2O16S | N-containing compounds | Alkaloids | Betalains | betanidin 5-O-(6'-sulfate)-beta-glucoside | ![]() | OZXPZOHWSFDUDY-RYGANQNKSA-N | | (1E,2S)-2-carboxy-1-{2-[(2R,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium | 630.53 | 7.97e-01 g/l | 0.07 | 0.0 | Red beetroot | | Show Entry |
| Hylocerenin | PHUB000423 | 694.185747643 | C30H34N2O17 | N-containing compounds | Alkaloids | Betalains | betanidin 5-O-(6'-O-3''-hydroxy-3''-methyl-glutaryl)-beta-glucoside | ![]() | QKXXHWFHBPIWQB-WXZMGVIUSA-N | 403517-96-4 | | 694.599 | 2.03e-01 g/l | -0.34 | 0.0 | | | Show Entry |
| Isohylocerenin | PHUB000424 | 694.185747643 | C30H34N2O17 | N-containing compounds | Alkaloids | Betalains | isobetanidin 5-O-(6'-O-3''-hydroxy-3''-methyl-glutaryl)-beta-glucoside | ![]() | QKXXHWFHBPIWQB-KVYXXMNBSA-N | 403517-97-5 | | 694.599 | 2.03e-01 g/l | -0.34 | 0.0 | | | Show Entry |
| Phyllocactin | PHUB000425 | 650.159532894 | C28H30N2O16 | N-containing compounds | Alkaloids | Betalains | betanidin 5-O-(6'-O-malonyl)-beta-glucoside | ![]() | DCGMVLYJFORYIG-VJCXAXFISA-N | 15167-85-8 | | 650.546 | 1.97e-01 g/l | 0.16 | 0.0 | Swiss chard | | Show Entry |
| Isophyllocactin | PHUB000426 | 650.159532894 | C28H30N2O16 | N-containing compounds | Alkaloids | Betalains | isobetanidin 5-O-(6'-O-malonyl)-beta-glucoside | ![]() | DCGMVLYJFORYIG-VJCXAXFISA-N | | (1E,2S)-5-{[(3R,4R,5S,6R)-6-[(4-carboxybutanoyl)oxy]-3,4,5-trihydroxyoxan-2-yl]oxy}-1-{2-[(4Z)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate | 650.546 | 1.97e-01 g/l | 0.16 | 0.0 | | | Show Entry |
| Lampranthin II | PHUB000427 | 726.190833023 | C34H34N2O16 | N-containing compounds | Alkaloids | Betalains | betanidin 5-O-(6'-O-feruloyl)-beta-glucoside | ![]() | BRMDRKOAVZEJCS-WPUGSIMNSA-N | 32074-65-0 | (1E,2S)-1-{2-[(2S,4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate | 726.644 | 5.13e-02 g/l | 1.46 | 0.0 | Swiss chard | | Show Entry |
| Isolampranthin II | PHUB000428 | 726.190833023 | C34H34N2O16 | N-containing compounds | Alkaloids | Betalains | isobetanidin 5-O-(6'-O-feruloyl)-beta-glucoside | ![]() | BRMDRKOAVZEJCS-YCVPHGRYSA-N | 33594-55-7 | | 726.644 | 5.13e-02 g/l | 1.46 | 0.0 | Swiss chard | | Show Entry |
| Gomphrenin I | PHUB000429 | 550.143488905 | C24H26N2O13 | N-containing compounds | Alkaloids | Betalains | betanidin 6-O-beta-glucoside | ![]() | YUDKHXMQDKVDGU-FMOSSLLZSA-N | 17008-59-2 | | 550.473 | | | 0.0 | Prickly pear | | Show Entry |
| Isogomphrenin I | PHUB000430 | 550.143488905 | C24H26N2O13 | N-containing compounds | Alkaloids | Betalains | isobetanidin 6-O-beta-glucoside | ![]() | YUDKHXMQDKVDGU-RYGANQNKSA-N | | | 550.473 | 4.78e-01 g/l | 0.26 | 0.0 | | | Show Entry |
| 3-Methoxy-tyramine-betaxanthin | PHUB000431 | 360.132136372 | C18H20N2O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | SBHOSQZNRDXQAX-WSESCXGKSA-N | | (2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 360.366 | 8.05e-02 g/l | 2.19 | 0.0 | Swiss chard | | Show Entry |
| glutamine-betaxanthin | PHUB000432 | 339.106649899 | C14H17N3O7 | N-containing compounds | Alkaloids | Betalains | Vulgaxanthin I | ![]() | PDBJJFJKNSKTSW-IRFVBRLPSA-N | 904-62-1 | (2S,4E)-4-[(2Z)-2-{[(1S)-3-carbamoyl-1-carboxypropyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 339.304 | 2.58e-01 g/l | -0.32 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Glutamic acid-betaxanthin | PHUB000433 | 340.090665483 | C14H16N2O8 | N-containing compounds | Alkaloids | Betalains | Vulgaxanthin II | ![]() | HWOAHVAPMFFSAN-PVXSWLFQSA-N | 1047-87-6 | (2S)-4-[(E)-2-{[(1S)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid | 340.288 | 2.18e-01 g/l | 0.07 | 0.0 | Swiss chard | | Show Entry |
| Asparagine-betaxanthin | PHUB000434 | 325.090999835 | C13H15N3O7 | N-containing compounds | Alkaloids | Betalains | Vulgaxanthin III | ![]() | ZVEXYBAPQJFYFJ-PXDRJJNMSA-N | | (2S,4E)-4-(2-{[(1S)-2-carbamoyl-1-carboxyethyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 325.277 | 3.54e-01 g/l | -0.41 | 0.0 | Swiss chard | | Show Entry |
| Leucine-betaxanthin | PHUB000435 | 324.132136372 | C15H20N2O6 | N-containing compounds | Alkaloids | Betalains | Vulgaxanthin IV | ![]() | ROSMOQADGQSNPU-FJDWGVDESA-N | | (2S,4E)-4-[(2E)-2-[(1-carboxy-3-methylbutyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 324.333 | 1.60e-01 g/l | 1.44 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Isoleucine-betaxanthin | PHUB000436 | 324.132136372 | C15H20N2O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | CPTLBLHJPWEWRB-JQJUSHLPSA-N | | (2S,4E)-4-{2-[(1-carboxy-2-methylbutyl)imino]ethylidene}-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 324.333 | 1.69e-01 g/l | 1.43 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Methionine sulfoxide-betaxanthin | PHUB000437 | 358.083472102 | C14H18N2O7S | N-containing compounds | Alkaloids | Betalains | Miraxanthin I | ![]() | KRWNKOCPQBHMPM-PVDTWJDUSA-N | 5296-79-7 | (2S,4E)-4-(2-{[(1S)-1-carboxy-3-methanesulfinylpropyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 358.37 | 8.37e-01 g/l | 0.16 | 0.0 | | | Show Entry |
| Methionine-betaxanthin | PHUB000438 | 342.088557482 | C14H18N2O6S | N-containing compounds | Alkaloids | Betalains | | ![]() | OOEBWEUZBRBRQY-AIJRUOFWSA-N | | (2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 342.37 | 1.41e-01 g/l | 0.74 | 0.0 | | | Show Entry |
| Aspartic acid-betaxanthin | PHUB000439 | 326.075015419 | C13H14N2O8 | N-containing compounds | Alkaloids | Betalains | Miraxanthin II | ![]() | YHGOPYILBIAFGW-UIBMYNJFSA-N | 5375-63-3 | (2S,4E)-4-(2-{[(1S)-1,2-dicarboxyethyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 326.261 | 2.56e-01 g/l | 0.38 | 0.0 | | | Show Entry |
| Tyramine-betaxanthin | PHUB000440 | 330.121571688 | C17H18N2O5 | N-containing compounds | Alkaloids | Betalains | Miraxanthin III | ![]() | LWXJBFFPVPUUSL-JEUDWDASSA-N | 5589-85-5 | Miraxanthin-III | 330.34 | 9.78e-02 g/l | 2.17 | 0.0 | Swiss chard | | Show Entry |
| Dopamine-betaxanthin | PHUB000441 | 346.116486308 | C17H18N2O6 | N-containing compounds | Alkaloids | Betalains | Miraxanthin V; miraxanthin-V | ![]() | PDKFHZWVCCZUIF-YJHWCPSBSA-N | 5375-64-4 | miraxanthin-V | 346.339 | 7.64e-02 g/l | 2.22 | 0.0 | Swiss chard | | Show Entry |
| Histidine-betaxanthin | PHUB000442 | 348.106984251 | C15H16N4O6 | N-containing compounds | Alkaloids | Betalains | Muscaaurin VII | ![]() | BSRYRWSRAZYVFS-MISNAGCKSA-N | 81943-08-0 | | 348.315 | | | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| tyrosine-betaxanthin | PHUB000443 | 374.111400928 | C18H18N2O7 | N-containing compounds | Alkaloids | Betalains | Portulacaxanthin II | ![]() | XZCZKQZHJKYDQW-RFMXEPQUSA-N | | | 374.349 | 7.83e-02 g/l | 1.55 | 0.0 | Swiss chard | | Show Entry |
| Glycine-betaxanthin | PHUB000444 | 268.069536114 | C11H12N2O6 | N-containing compounds | Alkaloids | Betalains | Portulacaxanthin III | ![]() | ZZZQMKRQWYRKFG-HVXFQPPXSA-N | 135545-99-2 | portulacaxanthin III | 268.225 | 4.01e-01 g/l | 0.44 | 0.0 | Swiss chard | | Show Entry |
| γ-Aminobutyric acid-betaxanthin | PHUB000445 | 296.100836243 | C13H16N2O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | ICGRVJRPJJYWPZ-FDLAANOMSA-N | | (2S,4E)-4-[(2Z)-2-[(3-carboxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 296.279 | 2.60e-01 g/l | 0.78 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Histamine-betaxanthin | PHUB000446 | 304.117155011 | C14H16N4O4 | N-containing compounds | Alkaloids | Betalains | | ![]() | NKVDSHYVFXEPFV-MSLONMJQSA-N | | (2S,4E)-4-[(2Z)-2-{[2-(3H-imidazol-4-yl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 304.306 | 2.00e-01 g/l | 0.74 | 0.0 | Swiss chard | | Show Entry |
| Proline-betaxanthin | PHUB000447 | 308.100836243 | C14H16N2O6 | N-containing compounds | Alkaloids | Betalains | Indicaxanthin | ![]() | RJIIQBYZGJSODH-QWRGUYRKSA-N | 2181-75-1 | indicaxanthin | 308.29 | 2.06e-01 g/l | -1.02 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Phenylalanine-betaxanthin | PHUB000448 | 358.116486308 | C18H18N2O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | HAMXRPQAHZQQOG-KBBYHXIASA-N | | (2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-phenylethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 358.35 | 4.39e-02 g/l | 1.82 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Serine-betaxantin | PHUB000449 | 298.080100799 | C12H14N2O7 | N-containing compounds | Alkaloids | Betalains | | ![]() | FPSPMXPRFYBHKR-UQXOTDKOSA-N | | (2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-hydroxyethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 298.251 | 5.71e-01 g/l | -0.20 | 0.0 | Swiss chard | | Show Entry |
| Valine-betaxanthin | PHUB000450 | 310.116486308 | C14H18N2O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | OFCWWHRZBKKYLH-NUYXRTHPSA-N | | (2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-methylpropyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 310.306 | 2.04e-01 g/l | 1.20 | 0.0 | Prickly pear / Swiss chard | | Show Entry |
| Arginine-betaxanthin | PHUB000451 | 367.149183416 | C15H21N5O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | YAQNIUGMDIKWBA-GOEHPVLMSA-N | | | 367.362 | | | 0.0 | Ulluco | | Show Entry |
| Lysine-betaxanthin | PHUB000452 | 339.143035408 | C15H21N3O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | PXXNEQRBAYASTO-GTFOEFGDSA-N | | (2S,4E)-4-[(2Z)-2-[(5-amino-1-carboxypentyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 339.348 | 1.56e-01 g/l | -2.08 | 0.0 | | | Show Entry |
| Threonine-betaxanthin | PHUB000453 | 312.095750863 | C13H16N2O7 | N-containing compounds | Alkaloids | Betalains | | ![]() | QRPJLYZEYIAPNC-OUMWIEETSA-N | | (2S,4E)-4-[(2Z)-2-[(1-carboxy-2-hydroxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 312.278 | 4.44e-01 g/l | 0.30 | 0.0 | | | Show Entry |
| Tryptophan-betaxanthin | PHUB000454 | 397.127385344 | C20H19N3O6 | N-containing compounds | Alkaloids | Betalains | | ![]() | ARKIQAJOXYYWTM-ALIJTWQQSA-N | | (2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 397.387 | 2.16e-02 g/l | 2.25 | 0.0 | Swiss chard | | Show Entry |
| Ethanolamine-betaxanthin | PHUB000455 | 254.090271559 | C11H14N2O5 | N-containing compounds | Alkaloids | Betalains | | ![]() | NNZFPQMVIVEAPP-TUKBYBJDSA-N | | (2S,4E)-4-[(2E)-2-[(2-hydroxyethyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | 254.242 | 5.86e-01 g/l | 0.09 | 0.0 | | | Show Entry |
| 5-Hydroxynorvaline-betaxanthin | PHUB000456 | 326.111400928 | C14H18N2O7 | N-containing compounds | Alkaloids | Betalains | Humilixanthin | ![]() | RVPIQBBRHBAQKG-CFJJVPNFSA-N | | humilixanthin | 326.305 | 2.85e-01 g/l | 0.34 | 0.0 | Common beetroot | | Show Entry |
| Phytoene | PHUB000457 | 544.500802061 | C40H64 | Terpenoids | Carotenoids | Not Available | Phytoene (15-Z-) | ![]() | YVLPJIGOMTXXLP-BHLJUDRVSA-N | | cis-phytoene | 544.952 | 3.17e-04 g/l | 9.60 | 0.0 | Apricot / Bell pepper (Capsicum annuum, mild varieties) / Carrot / Grapefruit / Orange juice / Tomato / Watermelon | | Show Entry |
| Phytofluene | PHUB000458 | 542.485151984 | C40H62 | Terpenoids | Carotenoids | Not Available | | ![]() | OVSVTCFNLSGAMM-DGFSHVNOSA-N | | phytofluene | 542.9203 | 3.55e-04 g/l | 9.56 | 0.0 | Apricot / Grapefruit / Orange juice / Tomato | | Show Entry |
| Neurosporene | PHUB000459 | 538.453851856 | C40H58 | Terpenoids | Carotenoids | Not Available | | ![]() | ATCICVFRSJQYDV-XILUKMICSA-N | | neurosporene | 538.8885 | 3.66e-04 g/l | 9.28 | 0.0 | | | Show Entry |
| Lycopene (tetra-cis) | PHUB000460 | 536.438201792 | C40H56 | Terpenoids | Carotenoids | Not Available | Prolycopene | ![]() | OAIJSZIZWZSQBC-BYUNHUQQSA-N | | prolycopene | 536.8726 | 3.97e-04 g/l | 9.16 | 0.0 | | | Show Entry |
| Anhydrolutein I | PHUB000461 | 550.417466359 | C40H54O | Terpenoids | Carotenoids | Not Available | | ![]() | UIUSQYGQZRBKCC-AJGOZXJMSA-N | | (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S)-6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol | 550.871 | 5.77e-04 g/l | 8.96 | 0.0 | | | Show Entry |
| Zeaxanthin (meso) | PHUB000462 | 568.428031043 | C40H56O2 | Terpenoids | Carotenoids | Not Available | | ![]() | JKQXZKUSFCKOGQ-YOPUJPICSA-N | | (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol | 568.886 | 6.49e-04 g/l | 8.30 | 0.0 | | | Show Entry |
| Zeinoxanthin | PHUB000463 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Not Available | | ![]() | NBZANZVJRKXVBH-SZVYCNKZSA-N | | (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol | 552.887 | 5.35e-04 g/l | 9.19 | 0.0 | | | Show Entry |
| carotenal (beta-apo-8') | PHUB000464 | 416.307915908 | C30H40O | Terpenoids | Carotenoids | Not Available | | ![]() | DFMMVLFMMAQXHZ-DOKBYWHISA-N | | apocarotenal | 416.649 | 8.33e-04 g/l | 7.97 | 0.0 | | | Show Entry |
| Bixin | PHUB000465 | 394.214409448 | C25H30O4 | Terpenoids | Carotenoids | Not Available | | ![]() | RAFGELQLHMBRHD-SLEZCNMESA-N | | bixin | 394.5033 | 1.44e-03 g/l | 6.00 | 0.0 | | | Show Entry |
| Norbixin | PHUB000466 | 380.198759382 | C24H28O4 | Terpenoids | Carotenoids | Not Available | | ![]() | ZVKOASAVGLETCT-LRRSNBNMSA-N | | (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid | 380.484 | 2.09e-03 g/l | 5.52 | 0.0 | | | Show Entry |
| Carotene-delta | PHUB000467 | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Not Available | | ![]() | WGIYGODPCLMGQH-GOXCNPTKSA-N | | delta-carotene | 536.888 | 3.39e-04 g/l | 9.50 | 0.0 | | | Show Entry |
| Avenasterol (delta5-) | PHUB000468 | 412.370516158 | C29H48O | Terpenoids | Phytosterols | Not Available | 29-Isofucosterol; Isofucosterol | ![]() | OSELKOCHBMDKEJ-APCSMPPYSA-N | | (2R,5S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 412.6908 | 7.48e-05 g/l | 7.60 | 0.0 | Almond / Apricot / Brazil nut / Cashew nut / Chocolate / Common hazelnut / Common walnut / Common wheat / Flaxseed / Macadamia nut / Oat / Peanut / Pecan nut / Pine nut / Pistachio / Poppy / Sesame / Sunflower | | Show Entry |
| Avenasterol (delta7-) | PHUB000469 | 412.370516158 | C29H48O | Terpenoids | Phytosterols | Not Available | | ![]() | MCWVPSBQQXUCTB-PNOHOJSCSA-N | | (2S,5S,7S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol | 412.6908 | 9.25e-05 g/l | 7.62 | 0.0 | Peanut butter | | Show Entry |
| Brassicasterol | PHUB000470 | 398.354866101 | C28H46O | Terpenoids | Phytosterols | Not Available | | ![]() | OILXMJHPFNGGTO-VFZJMRPLSA-N | | (2R,5S,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 398.675 | 3.47e-05 g/l | 6.48 | 0.0 | Alfalfa / Apple / Broccoli / Brussel sprouts / Cauliflower / Common beetroot / Dill / European plum / Parsley / Pepper / Rapeseed / Spinach / Vaccinium (Blueberry, Cranberry, Huckleberry) | | Show Entry |
| Campestanol | PHUB000471 | 402.38616623 | C28H50O | Terpenoids | Phytosterols | Not Available | | ![]() | ARYTXMNEANMLMU-MATPTPAVSA-N | | (2S,5S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol | 402.707 | 1.31e-05 g/l | 6.86 | 0.0 | Almond / Brazil nut / Broccoli / Cashew nut / Chocolate / Common hazelnut / Common mushroom / Common walnut / Common wheat / Flaxseed / Kale / Leek / Macadamia nut / Peanut / Pecan nut / Pine nut / Pistachio / Poppy / Sesame / Sunflower / Tomato | | Show Entry |
| Campesterol | PHUB000472 | 400.370516158 | C28H48O | Terpenoids | Phytosterols | Not Available | Campesterin | ![]() | SGNBVLSWZMBQTH-MMTVXVTESA-N | | (2R,5S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 400.6801 | 2.19e-05 g/l | 6.81 | 0.0 | Alfalfa / Almond / Apple / Apricot / Avocado / Banana / Barley / Blackcurrant / Brazil nut / Broccoli / Brussel sprouts / Carrot / Cashew nut / Cauliflower / Chocolate / Common bean / Common beetroot / Common cabbage / Common hazelnut / Common pea / Common walnut / Common wheat / Corn / Dill / European plum / Flaxseed / Grape / Kiwi / Leek / Lettuce / Macadamia nut / Oat / Onion / Orange juice / Parsley / Passion fruit / Peanut / Pecan nut / Pepper / Pine nut / Pistachio / Poppy / Potato / Rapeseed / Redcurrant / Rye / Sesame / Soy bean / Spinach / Strawberry / Sunflower / Swede (Rutabaga) / Sweet orange / Tomato / Vaccinium (Blueberry, Cranberry, Huckleberry) | | Show Entry |
| Clerosterol | PHUB000473 | 412.370516166 | C29H48O | Terpenoids | Phytosterols | Not Available | Stigmastadienol | ![]() | GHGKPLPBPGYSOO-VFEVHFPZSA-N | | (2R,15R)-14-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 412.702 | 1.35e-04 g/l | 7.56 | 0.0 | Olive oil / Peanut | | Show Entry |
| Cycloartenol | PHUB000474 | 426.38616623 | C30H50O | Terpenoids | Phytosterols | Not Available | | ![]() | ONQRKEUAIJMULO-VFTSYHOTSA-N | | (1S,3R,6S,8R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol | 426.729 | 3.56e-05 g/l | 6.66 | 0.0 | Peanut / Rice | | Show Entry |
| Dihydrobrassicasterol | PHUB000475 | 400.370516166 | C28H48O | Terpenoids | Phytosterols | Not Available | Epicampesterol | ![]() | SGNBVLSWZMBQTH-ROPKYXIZSA-N | | (2R,15R)-14-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 400.691 | 2.19e-05 g/l | 6.81 | 0.0 | Soy bean | | Show Entry |
| Ergosterol | PHUB000476 | 396.33921603 | C28H44O | Terpenoids | Phytosterols | Not Available | Ergosterin; Provitamin D2 | ![]() | DNVPQKQSNYMLRS-KQYMERMZSA-N | | (2R,5S,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol | 396.6484 | 1.56e-04 g/l | 7.39 | 0.0 | Common mushroom | | Show Entry |
| Fucosterol | PHUB000477 | 412.370516158 | C29H48O | Terpenoids | Phytosterols | Not Available | Fucosterin | ![]() | OSELKOCHBMDKEJ-APCSMPPYSA-N | | (2R,5S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 412.6908 | 7.48e-05 g/l | 7.60 | 0.0 | Coconut | | Show Entry |
| Sitostanol-beta | PHUB000478 | 416.401816294 | C29H52O | Terpenoids | Phytosterols | Not Available | Dihydrositosterol; Fucostanol; Stigmastanol | ![]() | LGJMUZUPVCAVPU-REUBFNFGSA-N | | (2S,5S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol | 416.734 | 1.14e-05 g/l | 7.23 | 0.0 | Almond / Brazil nut / Broccoli / Brussel sprouts / Cashew nut / Cauliflower / Celeriac / Chocolate / Common hazelnut / Common walnut / Common wheat / Flaxseed / Peanut / Pecan nut / Pine nut / Pistachio / Poppy / Sunflower / Tomato | | Show Entry |
| Sitosterol-beta | PHUB000479 | 414.38616623 | C29H50O | Terpenoids | Phytosterols | Not Available | Cinchol; Cupreol; Quebrachol; Sitosterin | ![]() | KZJWDPNRJALLNS-UIKPJUSWSA-N | | (2R,5S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 414.718 | 1.84e-05 g/l | 7.27 | 0.0 | Alfalfa / Almond / Apple / Apricot / Avocado / Banana / Barley / Blackcurrant / Brazil nut / Broccoli / Brussel sprouts / Carrot / Cashew nut / Cauliflower / Celeriac / Chocolate / Coffee / Common bean / Common beetroot / Common cabbage / Common hazelnut / Common pea / Common walnut / Common wheat / Corn / Cucumber / Dill / European plum / Fig / Flaxseed / Grape / Grapefruit / Kale / Kiwi / Leek / Lemon / Lettuce / Macadamia nut / Oat / Olive, green / Onion / Orange juice / Parsley / Parsnip / Passion fruit / Peach / Peanut / Pear / Pecan nut / Pepper / Pine nut / Pineapple / Pistachio / Poppy / Potato / Redcurrant / Rye / Spinach / Strawberry / Sunflower / Sweet orange / Tomato / Vaccinium (Blueberry, Cranberry, Huckleberry) | | Show Entry |
| Spinasterol-alpha | PHUB000480 | 412.370516166 | C29H48O | Terpenoids | Phytosterols | Not Available | Bessisterol; Chondrillasterol; Spinasterin-alpha | ![]() | JZVFJDZBLUFKCA-JWSROWKMSA-N | | (2S,5S,7S,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol | 412.702 | 3.40e-05 g/l | 7.46 | 0.0 | Alfalfa / Peanut butter / Spinach | | Show Entry |
| Stigmasterol | PHUB000481 | 412.370516166 | C29H48O | Terpenoids | Phytosterols | Not Available | Stigmasterin | ![]() | HCXVJBMSMIARIN-IAARLTICSA-N | | (2R,5S,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol | 412.702 | 2.73e-05 g/l | 6.95 | 0.0 | Alfalfa / Almond / Apple / Apricot / Avocado / Banana / Barley / Blackcurrant / Brazil nut / Broccoli / Brussel sprouts / Carrot / Cashew nut / Cauliflower / Celeriac / Chocolate / Coffee / Common bean / Common beetroot / Common cabbage / Common hazelnut / Common pea / Common walnut / Common wheat / Corn / Dill / European plum / Flaxseed / Grape / Kiwi / Lettuce / Onion / Orange juice / Parsley / Peanut / Pecan nut / Pepper / Pine nut / Pistachio / Poppy / Potato / Redcurrant / Roasted coffee / Soy bean / Spinach / Sunflower / Sweet orange / Tomato | | Show Entry |
| Citrostadienol | PHUB000482 | 426.38616623 | C30H50O | Terpenoids | Phytosterols | Not Available | | ![]() | LPZCCMIISIBREI-VMZJTLAQSA-N | | (2S,5S,6S,7S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol | 426.729 | 7.56e-05 g/l | 7.85 | 0.0 | | | Show Entry |
| Cyanidin | PHUB000483 | 287.055563084 | C15H11O6 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | VEVZSMAEJFVWIL-UHFFFAOYSA-O | | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium | 287.2442 | 4.89e-02 g/l | 1.85 | 0.0 | Apple | 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxyphenyl)beta-D-glucuronic acid | Show Entry |
| Cyanidin 3-(caffeoyl)(p-coumaroyl)-diglucoside-5-glucoside | PHUB000484 | 1081.281958247 | C51H53O26 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | ZDPHYVRDGAQMTN-HZXYIBKOSA-O | | 2-(3,4-dihydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(3-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1081.958 | 1.96e-01 g/l | 2.39 | 0.0 | | | Show Entry |
| Cyanidin 3-(caffeoyl)-diglucoside-5-glucoside | PHUB000485 | 935.245178814 | C42H47O24 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | YZJPIJNLTTVHHD-QNUABCLLSA-O | | 2-(3,4-dihydroxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5R,6S)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 935.813 | 8.59e-01 g/l | 1.21 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)(feruloyl)-diglucoside-5-glucoside | PHUB000486 | 1125.308172996 | C53H57O27 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | ANGPHKURTIFMSX-PEYLKAOJSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1126.011 | 1.41e-01 g/l | 2.59 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)(feruloyl)-triglucoside-5-glucoside | PHUB000487 | 1287.360996418 | C59H67O32 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | GNRDYGNUXHHTTK-UROUXMLXSA-O | | 3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1288.152 | 4.02e-01 g/l | 1.99 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)(sinapoyl)-diglucoside-5-glucoside | PHUB000488 | 1155.31873768 | C54H59O28 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | RBKRYOSBBLRFTC-JEPTWNFHSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1156.037 | 1.36e-01 g/l | 2.65 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)(sinapoyl)-triglucoside-5-glucoside | PHUB000489 | 1317.371561102 | C60H69O33 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | XBPKDPGOFOEHAI-KJEJWVHFSA-O | | 3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1318.178 | 3.99e-01 g/l | 2.02 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)-diglucoside-5-glucoside | PHUB000490 | 949.260828878 | C43H49O24 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | MXQBPHHMPLYOQG-YLILQDGXSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 949.84 | 7.16e-01 g/l | 1.29 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)-glucoside-5-glucoside | PHUB000491 | 787.208005456 | C37H39O19 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | NDRLBVWGLKJENX-HCGPPBGESA-O | | 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 787.699 | 2.35e-01 g/l | 2.03 | 0.0 | | | Show Entry |
| Cyanidin 3-(feruloyl)-triglucosides-5-glucoside | PHUB000492 | 1111.3136523 | C49H59O29 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | JWFUYHYTGJFUCW-PHGZVPTQSA-O | | 3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1111.981 | 2.61e+00 g/l | 0.64 | 0.0 | | | Show Entry |
| Cyanidin 3-(p-coumaroyl)-diglucoside-5-glucoside | PHUB000493 | 919.250264194 | C42H47O23 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | YIQGOIVRQGYHKC-QNUABCLLSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 919.814 | 7.80e-01 g/l | 1.19 | 0.0 | | | Show Entry |
| Cyanidin 3-(sinapoyl)(sinapoyl)-diglucoside-5-glucoside | PHUB000494 | 1185.329302364 | C55H61O29 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | LQGKYRAQWXZSQJ-VCMFALRXSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1186.063 | 1.36e-01 g/l | 2.75 | 0.0 | | | Show Entry |
| Cyanidin 3-(sinapoyl)-diglucoside-5-glucoside | PHUB000495 | 979.271393562 | C44H51O25 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | KHCIHWRSUJQREL-HMBDQTPVSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 979.866 | 6.64e-01 g/l | 1.29 | 0.0 | | | Show Entry |
| Cyanidin 3-(sinapoyl)-glucoside-5-glucoside | PHUB000496 | 817.21857014 | C38H41O20 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | OIMSOHQKVWQFBN-CQGDMFOASA-O | | 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 817.725 | 2.26e-01 g/l | 2.01 | 0.0 | | | Show Entry |
| Cyanidin 3-(sinapoyl)-triglucoside-5-glucoside | PHUB000497 | 1141.324216984 | C50H61O30 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | PSXOXXIHLFWCTA-MIAYFPRTSA-O | | 3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 1142.007 | 2.46e+00 g/l | 0.74 | 0.0 | | | Show Entry |
| Cyanidin 3,5-O-diglucoside | PHUB000498 | 611.160661338 | C27H31O16 | Polyphenols | Flavonoids | Anthocyanins | Cyanidin 3-O-glucoside-5-O-glucoside; Cyanin | ![]() | RDFLLVCQYHQOBU-PKICTZKZSA-O | 20905-74-2 | 2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 611.528 | 1.34e+00 g/l | -0.18 | 0.0 | Pomegranate juice | Peonidin 3-glucoside | Show Entry |
| Cyanidin 3-O-arabinoside | PHUB000499 | 419.097273232 | C20H19O10 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | KUCVMQMKRICXJC-FEUVXWNVSA-O | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 419.361 | 4.56e-01 g/l | 1.37 | 0.0 | American cranberry / Cranberry juice | | Show Entry |
| Cyanidin 3-O-diglucoside | PHUB000500 | 611.160661338 | C27H31O16 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | SXYMMDGPXYVCER-YWXHFWPTSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium | 611.528 | 1.91e+00 g/l | 0.09 | 0.0 | | | Show Entry |
| Cyanidin 3-O-diglucoside-5-O-glucoside | PHUB000501 | 773.21348476 | C33H41O21 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | LOXRHOFBKUTJEZ-KVGMNMRRSA-O | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 773.669 | 5.81e+00 g/l | -0.63 | 0.0 | | | Show Entry |
| Cyanidin 3-O-galactoside | PHUB000502 | 449.107837916 | C21H21O11 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | RKWHWFONKJEUEF-KKKDIUQISA-O | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 449.387 | 6.04e-01 g/l | 0.98 | 0.0 | American cranberry / Apple / Cranberry juice / Strawberry | | Show Entry |
| Cyanidin 3-O-glucoside | PHUB000503 | 449.107837916 | C21H21O11 | Polyphenols | Flavonoids | Anthocyanins | Kuromanin | ![]() | RKWHWFONKJEUEF-UNJWAJPSSA-O | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 449.387 | 6.04e-01 g/l | 0.98 | 0.0 | Blackberry / Lettuce / Olive, black / Pomegranate juice / Strawberry / Sweet cherry | 3-Hydroxybenzoic acid / 4-Hydroxybenzoic acid / Protocatechuic acid / Vanillic acid / 3',4'-Dihydroxyphenylacetic acid / 4-Hydroxybenzaldehyde / 4'-Hydroxyphenylacetic acid / Caffeic acid / Ferulic acid / Hippuric acid / 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxyphenyl)beta-D-glucuronic acid / Peonidin 3-glucoside / 2-Hydroxy-4-methoxybenzoic acid / Protocatechualdehyde / 4-Methoxybenzaldehyde / Cyanidin 3-glucoside glucuronide / Cyanidin glucuronide / Isopeonidin 3-glucoside / Isopeonidin glucuronide / Isovanillic acid / Isovanillic acid-3-O-glucuronide / Isovanillic acid-3-O-sulfate / Methyl-3,4-dihydroxybenzoate / Methylcyanidin 3-glucoside-glucuronide / Methylcyanidin glucuronide / Methylvanillate / Peonidin 3-glucoside glucuronide / Peonidin glucuronide / Phloroglucinaldehyde / Protocatechuic acid-3-O-glucuronide / Protocatechuic acid-3-O-sulfate / Protocatechuic acid-4-O-glucuronide / Protocatechuic acid-4-O-sulfate / Vanillic acid 4-O-glucuronide / Vanillic acid-4-O-sulfate | Show Entry |
| Cyanidin 3-O-rutinoside | PHUB000504 | 595.165746718 | C27H31O15 | Polyphenols | Flavonoids | Anthocyanins | Cyanidin 3-rhamnoglucoside | ![]() | USNPULRDBDVJAO-NNWGXVDZSA-O | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,5R)-3,4,5-trihydroxy-6-({[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 595.529 | 8.95e-01 g/l | 0.66 | 0.0 | Blackberry / Olive, black / Strawberry / Sweet cherry | Isopeonidin 3-rutinoside / Peonidin 3-rutinoside | Show Entry |
| Pelargonidin | PHUB000505 | 271.060648462 | C15H11O5 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | XVFMGWDSJLBXDZ-UHFFFAOYSA-O | | pelargonidin | 271.2448 | 3.10e-02 g/l | 2.94 | 0.0 | Strawberry | 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxyphenyl)beta-D-glucuronic acid | Show Entry |
| Pelargonidin 3-O-glucoside | PHUB000506 | 433.113471892 | C21H21O10 | Polyphenols | Flavonoids | Anthocyanins | | ![]() | ABVCUBUIXWJYSE-UNJWAJPSSA-O | | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium | 433.3854 | 4.61e-01 g/l | 1.13 | 0.0 | Strawberry | 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxyphenyl)beta-D-glucuronic acid / Pelargonidin glucuronide / Pelargonidin sulfate | Show Entry |
| 1,2,2'-Triferuloylgentiobiose | PHUB000507 | 870.258243881 | C42H46O20 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | KHUQBGCNTVZZRF-ZOWBABNGSA-N | | 6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 870.81 | 4.53e-02 g/l | 2.76 | 0.0 | Broccoli | | Show Entry |
| 1,2,2'-Trisinapoylgentiobiose | PHUB000508 | 960.28993797 | C45H52O23 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | HVHNDGOZMSAQDC-SRDSWEMOSA-N | | 6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate | 960.8806 | 5.81e-02 g/l | 2.84 | 0.0 | Broccoli | | Show Entry |
| 1,2-Diferuloylgentiobiose | PHUB000509 | 694.210899764 | C32H38O17 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DTGPXHDRUSYIIK-NXZHAISVSA-N | | 4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 694.639 | 4.19e-01 g/l | 0.82 | 0.0 | Broccoli | | Show Entry |
| 1,2'-Disinapoyl-2-feruloylgentiobiose | PHUB000510 | 930.279373284 | C44H50O22 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | AZUSMVXIHUPOCX-UQYOVKQCSA-N | | 6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate | 930.8546 | 5.27e-02 g/l | 2.79 | 0.0 | Broccoli | | Show Entry |
| 1,2-Disinapoylgentiobiose | PHUB000511 | 754.232029162 | C34H42O19 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | MBGNTECDWBKCKH-KQQUZDAGSA-N | | 4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate | 754.6859 | 3.36e-01 g/l | 0.89 | 0.0 | Broccoli | | Show Entry |
| 1,3-Dicaffeoylquinic acid | PHUB000512 | 516.126776213 | C25H24O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | YDDUMTOHNYZQPO-FCXRPNKRSA-N | | 1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid | 516.455 | 1.37e-01 g/l | 2.07 | 0.0 | | | Show Entry |
| 1,5-Dicaffeoylquinic acid | PHUB000513 | 516.126776213 | C25H24O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | YDDUMTOHNYZQPO-AOHQRWFOSA-N | | (5S)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid | 516.455 | 1.37e-01 g/l | 2.07 | 0.0 | Globe artichoke | | Show Entry |
| 1-O-Caffeoylquinic acid | PHUB000514 | 354.095082174 | C16H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 1-Caffeoylquinic acid; Pseudochlorogenic acid | ![]() | GWTUHAXUUFROTF-DUXPYHPUSA-N | | 1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylic acid | 354.3087 | 3.38e+00 g/l | 0.18 | 0.0 | Sweet cherry | | Show Entry |
| 1-Sinapoyl-2,2'-diferuloylgentiobiose | PHUB000515 | 900.268808566 | C43H48O21 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | JULNRMTUIWVSQY-BHTVJVQFSA-N | | 6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate | 900.836 | 4.88e-02 g/l | 2.81 | 0.0 | Broccoli | | Show Entry |
| 1-Sinapoyl-2-feruloylgentiobiose | PHUB000516 | 724.221464476 | C33H40O18 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | QYKVHEQRAXPEEL-XVYDYJIPSA-N | | 4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate | 724.6599 | 3.70e-01 g/l | 0.88 | 0.0 | Broccoli | | Show Entry |
| 2,3-Dihydroxy-1-guaiacylpropanone | PHUB000517 | 212.068473494 | C10H12O5 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | UTXNRISXYKZJTH-UHFFFAOYSA-N | | 2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one | 212.1993 | 6.00e+00 g/l | 0.06 | 0.0 | | | Show Entry |
| 2,5-di-S-Glutathionyl caftaric acid | PHUB000518 | 922.184443816 | C33H42N6O21S2 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | GZSQKAREDMZRNC-LZCJLJQNSA-N | | 2-{[(2E)-3-[2,5-bis({[2-(4-amino-4-carboxybutanamido)-2-(carboxymethylcarbamoyl)ethyl]sulfanyl})-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-hydroxybutanedioic acid | 922.844 | 1.65e-01 g/l | -2.31 | 0.0 | | | Show Entry |
| 24-Methylcholestanol ferulate | PHUB000519 | 578.433510348 | C38H58O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | NLHPCZDTMWKEFC-GZTJUZNOSA-N | | 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 578.878 | 5.10e-06 g/l | 7.77 | 0.0 | | | Show Entry |
| 24-Methylcholesterol ferulate | PHUB000520 | 576.417860283 | C38H56O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | SWIWTAJTJOYCTB-GZTJUZNOSA-N | | 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 576.862 | 7.41e-06 g/l | 7.93 | 0.0 | | | Show Entry |
| 24-Methylenecholestanol ferulate | PHUB000521 | 576.417860283 | C38H56O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DOIYKIUFHRPGDF-GZTJUZNOSA-N | | 2,15-dimethyl-14-(6-methyl-5-methylideneheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 576.862 | 3.19e-05 g/l | 7.44 | 0.0 | | | Show Entry |
| 24-Methyllathosterol ferulate | PHUB000522 | 576.417860283 | C38H56O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | OZCGBWSNAGOZDD-GZTJUZNOSA-N | | 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 576.862 | 8.40e-06 g/l | 8.86 | 0.0 | | | Show Entry |
| 2-Methoxy-5-prop-1-enylphenol | PHUB000523 | 164.083729626 | C10H12O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 2-Methoxy-5-prop-1-enylbenzene | ![]() | LHJZSWVADJCBNI-ONEGZZNKSA-N | | 2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol | 164.204 | 1.48e+00 g/l | 2.79 | 0.0 | | | Show Entry |
| 2-S-Glutathionyl caftaric acid | PHUB000524 | 617.116287899 | C23H27N3O15S | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | FRUUTAANUZUTPG-QHHAFSJGSA-N | | 2-{[(2E)-3-(2-{[2-(4-amino-4-carboxybutanamido)-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid | 617.537 | 2.91e-01 g/l | -1.13 | 0.0 | | | Show Entry |
| 3,4-Dicaffeoylquinic acid | PHUB000525 | 516.126776213 | C25H24O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | UFCLZKMFXSILNL-FCXRPNKRSA-N | | 3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid | 516.455 | 1.25e-01 g/l | 2.05 | 0.0 | Coffee / Globe artichoke | | Show Entry |
| 3,4-Diferuloylquinic acid | PHUB000526 | 544.158076342 | C27H28O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | WCIDSNIXNCYSPH-NXZHAISVSA-N | | 1,3-dihydroxy-4,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid | 544.509 | 5.63e-02 g/l | 2.67 | 0.0 | | | Show Entry |
| 3',4'-Dihydroxyphenylacetic acid | PHUB000527 | 168.042258744 | C8H8O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | (3,4-Dihydroxyphenyl)acetic acid; 3,4-Dihydroxyphenylacetic acid; DOPAC; Dopacetic acid; Homoprotocatechuic acid | ![]() | CFFZDZCDUFSOFZ-UHFFFAOYSA-N | 102-32-9 | 3,4 dihydroxyphenylacetic acid | 168.1467 | 7.23e+00 g/l | 0.93 | 0.0 | Olive, black / Olive, green | | Show Entry |
| 3,5-Dicaffeoylquinic acid | PHUB000528 | 516.126776213 | C25H24O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | KRZBCHWVBQOTNZ-FCXRPNKRSA-N | | 3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid | 516.455 | 1.25e-01 g/l | 2.05 | 0.0 | Coffee / Globe artichoke | | Show Entry |
| 3,5-Diferuloylquinic acid | PHUB000529 | 544.158076342 | C27H28O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | MOMSOBSYYRIFOP-NXZHAISVSA-N | | 1,4-dihydroxy-3,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid | 544.509 | 5.42e-02 g/l | 2.65 | 0.0 | | | Show Entry |
| 3-O-Caffeoylquinic acid | PHUB000530 | 354.095082174 | C16H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-Caffeoylquinic acid; Neochlorogenic acid | ![]() | CWVRJTMFETXNAD-DUXPYHPUSA-N | | chlorogenic acid | 354.3087 | 3.44e+00 g/l | 0.17 | 0.0 | Apricot / Broccoli / Brussel sprouts / Coffee / Common cabbage / European plum / Kale / Sweet cherry | | Show Entry |
| 3-Feruloylquinic acid | PHUB000531 | 368.110732238 | C17H20O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | RAGZUCNPTLULOL-HWKANZROSA-N | | 1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 368.3353 | 3.04e+00 g/l | 0.23 | 0.0 | Apricot / Coffee | | Show Entry |
| 3-Methoxyacetophenone | PHUB000532 | 150.068079564 | C9H10O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 1-(3-methoxyphenyl)-ethanone; 3-Acetylanisole | ![]() | BAYUSCHCCGXLAY-UHFFFAOYSA-N | | M-methoxyacetophenone | 150.1745 | 1.05e+00 g/l | 1.77 | 0.0 | | | Show Entry |
| 3-Methylcatechol | PHUB000533 | 124.0524295 | C7H8O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3-Methyl-1,2-benzenediol; 3-Methyl-1,2-dihydroxybenzene; 3-Methylpyrocatechin; 3-Methylpyrocatechol; Dihydroxytoluene | ![]() | PGSWEKYNAOWQDF-UHFFFAOYSA-N | | 3-methylcatechol | 124.1372 | 3.67e+01 g/l | 1.03 | 0.0 | | | Show Entry |
| 3-p-Coumaroylquinic acid | PHUB000534 | 338.10016754 | C16H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | BMRSEYFENKXDIS-ZZXKWVIFSA-N | | 1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 338.312 | 3.92e+00 g/l | 0.13 | 0.0 | Apple / Blackcurrant / Brussel sprouts / Common cabbage / European plum / Kale / Sweet cherry | | Show Entry |
| 3-Sinapoylquinic acid | PHUB000535 | 398.121296908 | C18H22O10 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DTJWTKVKHOJHJK-ONEGZZNKSA-N | | 1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 398.364 | 1.50e+00 g/l | 0.29 | 0.0 | | | Show Entry |
| 4,5-Dicaffeoylquinic acid | PHUB000536 | 516.126776213 | C25H24O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | UFCLZKMFXSILNL-FCXRPNKRSA-N | | 3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid | 516.455 | 1.25e-01 g/l | 2.05 | 0.0 | Coffee / Globe artichoke | | Show Entry |
| 4-O-Caffeoylquinic acid | PHUB000537 | 354.09508216 | C16H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 4-Caffeoylquinic acid; Cryptochlorogenic acid | ![]() | GYFFKZTYYAFCTR-DUXPYHPUSA-N | | 4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid | 354.311 | 3.12e+00 g/l | 0.17 | 0.0 | Apple / Black tea / Coffee / Globe artichoke / Tomato | | Show Entry |
| 4-Ethylcatechol | PHUB000538 | 138.068079564 | C8H10O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Ethyl-1,2-benzenediol; 4-Ethyl-1,2-dihydroxybenzene; 4-Ethylpyrocatechin; 4-Ethylpyrocatechol | ![]() | HFLGBNBLMBSXEM-UHFFFAOYSA-N | | 4-ethylbenzene-1,2-diol | 138.1638 | 1.15e+01 g/l | 1.74 | 0.0 | Coffee | | Show Entry |
| 4-Ethylguaiacol | PHUB000539 | 152.083729628 | C9H12O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | CHWNEIVBYREQRF-UHFFFAOYSA-N | | 4-ethylguaiacol | 152.1904 | 2.41e+00 g/l | 2.36 | 0.0 | | | Show Entry |
| 4-Ethylphenol | PHUB000540 | 122.073164942 | C8H10O | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | HXDOZKJGKXYMEW-UHFFFAOYSA-N | | ethylphenol | 122.1644 | 6.15e+00 g/l | 2.54 | 0.0 | | Quercetin | Show Entry |
| 4-Feruloylquinic acid | PHUB000541 | 368.110732224 | C17H20O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | VTMFDSJJVNQXLT-HWKANZROSA-N | | 1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 368.338 | 2.80e+00 g/l | 0.23 | 0.0 | Coffee | | Show Entry |
| 4-Hydroxybenzaldehyde | PHUB000542 | 122.036779436 | C7H6O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Formylphenol; p-Hydroxybenzaldehyde | ![]() | RGHHSNMVTDWUBI-UHFFFAOYSA-N | 123-08-0 | P-hydroxybenzaldehyde | 122.1213 | 9.51e+00 g/l | 1.27 | 0.0 | Vanilla | | Show Entry |
| 4'-Hydroxyphenylacetic acid | PHUB000543 | 152.047344122 | C8H8O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | (4-Hydroxyphenyl)acetic acid; 2-(4'-Hydroxyphenyl)acetic acid; 4-Hydroxyphenylacetic acid | ![]() | XQXPVVBIMDBYFF-UHFFFAOYSA-N | 156-38-7 | 4-hydroxyphenylacetic acid | 152.1473 | 7.12e+00 g/l | 0.93 | 0.0 | Olive, black / Olive, green | | Show Entry |
| 4-Methylcatechol | PHUB000544 | 124.0524295 | C7H8O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Methyl-1,2-benzenediol; 4-Methyl-1,2-dihydroxybenzene; 4-Methylpyrocatechin; 4-Methylpyrocatechol; Homocatechol | ![]() | ZBCATMYQYDCTIZ-UHFFFAOYSA-N | | 4-methyl-1,2-benzenediol | 124.1372 | 3.79e+01 g/l | 1.02 | 0.0 | | | Show Entry |
| 4-p-Coumaroylquinic acid | PHUB000545 | 338.10016754 | C16H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | XWRHBGVVCOSNKO-ZZXKWVIFSA-N | | 1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 338.312 | 3.54e+00 g/l | 0.12 | 0.0 | Apple / Apple juice / Black tea | | Show Entry |
| 4-Sinapoylquinic acid | PHUB000546 | 398.121296908 | C18H22O10 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | WKRKXTOYTASIOP-NSINOORBSA-N | | 1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 398.364 | 1.49e+00 g/l | 0.28 | 0.0 | | | Show Entry |
| 4-Vinylguaiacol | PHUB000547 | 150.068079564 | C9H10O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | YOMSJEATGXXYPX-UHFFFAOYSA-N | | 2-methoxy-4-vinyl-phenol | 150.1745 | 7.42e+00 g/l | 1.84 | 0.0 | Beer | | Show Entry |
| 4-Vinylphenol | PHUB000548 | 120.057514878 | C8H8O | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | FUGYGGDSWSUORM-UHFFFAOYSA-N | | 4-vinylphenol | 120.1485 | 8.40e+00 g/l | 2.07 | 0.0 | Beer | | Show Entry |
| 4-Vinylsyringol | PHUB000549 | 242.094294314 | C15H14O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | WBBHYMRWGHBXLS-BQYQJAHWSA-N | | 3-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diol | 242.2699 | 5.05e-02 g/l | 3.16 | 0.0 | | | Show Entry |
| 5-Feruloylquinic acid | PHUB000550 | 368.110732238 | C17H20O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | RAGZUCNPTLULOL-HWKANZROSA-N | | 1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 368.3353 | 3.04e+00 g/l | 0.23 | 0.0 | Coffee | | Show Entry |
| 5-Heneicosylresorcinol | PHUB000552 | 404.36543078 | C27H48O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | BLHLKJLSYHEOGY-UHFFFAOYSA-N | | 5-henicosylbenzene-1,3-diol | 404.6688 | 5.06e-05 g/l | 9.78 | 0.0 | | | Show Entry |
| 5-Heptadecenylresorcinol | PHUB000553 | 346.287180464 | C23H38O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | DQSWQRFGZIJUCI-KTKRTIGZSA-N | | 5-[(8Z)-heptadec-8-en-1-yl]benzene-1,3-diol | 346.555 | 1.64e-04 g/l | 8.75 | 0.0 | | | Show Entry |
| 5-Heptadecylresorcinol | PHUB000554 | 348.302830524 | C23H40O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 5-heptadecylbenzene-1,3-diol; Alkylresorcinol C17:0 | ![]() | BBGNINPPDHJETF-UHFFFAOYSA-N | | 5-heptadecylbenzene-1,3-diol | 348.5625 | 1.77e-04 g/l | 8.79 | 0.0 | | | Show Entry |
| 5-Nonadecenylresorcinol | PHUB000555 | 374.318480592 | C25H42O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | DELSXHKTDYFIOG-VHEBQXMUSA-N | | 5-[(1E)-nonadec-1-en-1-yl]benzene-1,3-diol | 374.609 | 9.78e-05 g/l | 9.42 | 0.0 | | | Show Entry |
| 5-Nonadecylresorcinol | PHUB000556 | 376.334130652 | C25H44O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | PUNOCEUUYUXUGR-UHFFFAOYSA-N | | 5-nonadecylbenzene-1,3-diol | 376.6157 | 8.49e-05 g/l | 9.33 | 0.0 | | | Show Entry |
| 5-O-Caffeoylshikimic acid | PHUB000557 | 336.084517488 | C16H16O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | QMPHZIPNNJOWQI-DUXPYHPUSA-N | | 5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid | 336.2934 | 1.01e+00 g/l | 1.17 | 0.0 | | | Show Entry |
| 5-p-Coumaroylquinic acid | PHUB000558 | 338.10016754 | C16H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | BMRSEYFENKXDIS-ZZXKWVIFSA-N | | 1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 338.312 | 3.92e+00 g/l | 0.13 | 0.0 | | | Show Entry |
| 5-Pentacosenylresorcinol | PHUB000559 | 458.412380972 | C31H54O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | VURYBPDWGJKISB-OCOZRVBESA-N | | 5-[(1E)-pentacos-1-en-1-yl]benzene-1,3-diol | 458.7593 | 2.74e-05 g/l | 10.53 | 0.0 | | | Show Entry |
| 5-Pentacosylresorcinol | PHUB000560 | 460.428031036 | C31H56O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 5-Pentacosyl-1,3-benzenediol; Alkylresorcinol C25:0 | ![]() | GDJMJAKVVSGNLA-UHFFFAOYSA-N | 70110-61-1 | 5-pentacosylbenzene-1,3-diol | 460.7751 | 2.46e-05 g/l | 10.40 | 0.0 | | | Show Entry |
| 5-Pentadecylresorcinol | PHUB000561 | 320.271530396 | C21H36O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Adipostatin A | ![]() | KVVSCMOUFCNCGX-UHFFFAOYSA-N | | cardol | 320.5093 | 3.83e-04 g/l | 8.18 | 0.0 | | | Show Entry |
| 5-Sinapoylquinic acid | PHUB000562 | 398.121296908 | C18H22O10 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DTJWTKVKHOJHJK-ONEGZZNKSA-N | | 1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 398.364 | 1.50e+00 g/l | 0.29 | 0.0 | | | Show Entry |
| 5-Tricosenylresorcinol | PHUB000563 | 430.381080844 | C29H50O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | MCDSNVQSEUOTPK-GHVJWSGMSA-N | | 5-[(1E)-tricos-1-en-1-yl]benzene-1,3-diol | 430.7061 | 3.97e-05 g/l | 10.26 | 0.0 | | | Show Entry |
| 5-Tricosylresorcinol | PHUB000564 | 432.396730908 | C29H52O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | OHTBGMREZYLZQD-UHFFFAOYSA-N | | 5-tricosylbenzene-1,3-diol | 432.722 | 3.35e-05 g/l | 10.15 | 0.0 | | | Show Entry |
| Acetyl eugenol | PHUB000565 | 206.094294314 | C12H14O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Allyl-2-methoxyphenol acetate; Eugenol acetate | ![]() | SCCDQYPEOIRVGX-UHFFFAOYSA-N | | eugenyl acetate | 206.2378 | 1.51e-01 g/l | 3.00 | 0.0 | | | Show Entry |
| Anethole | PHUB000566 | 148.088815006 | C10H12O | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 1-Methoxy-4-prop-1-enylbenzene; 4-Propenylanisole; Isoestragole | ![]() | RUVINXPYWBROJD-ONEGZZNKSA-N | | anethole | 148.205 | 1.77e-01 g/l | 3.40 | 0.0 | | | Show Entry |
| Anisaldehyde (p-) | PHUB000567 | 136.0524295 | C8H8O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Methoxybenzoic aldehyde; Anisic aldehyde | ![]() | ZRSNZINYAWTAHE-UHFFFAOYSA-N | | anisaldehyde | 136.1479 | 1.71e+00 g/l | 1.64 | 0.0 | | | Show Entry |
| Arbutin | PHUB000568 | 272.089602866 | C12H16O7 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Hydroquinone-beta-D-glucopyranoside; Quinol beta-D-glucoside | ![]() | BJRNKVDFDLYUGJ-RMPHRYRLSA-N | | β-arbutin | 272.2512 | 3.91e+01 g/l | -1.36 | 0.0 | Pear / Sweet marjoram / Wheat germ / Whole wheat bread | Hydroquinone / Hydroquinone glucuronide / Hydroquinone sulfate | Show Entry |
| Avenanthramide 2c | PHUB000569 | 315.074287153 | C16H13NO6 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Avenanthramide C; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-5-hydroxyanthranilic acid | ![]() | IDUUXROOZBOOPH-QHHAFSJGSA-N | | 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoic acid | 315.2775 | 8.57e-02 g/l | 2.55 | 0.0 | | | Show Entry |
| Avenanthramide 2f | PHUB000570 | 329.089937217 | C17H15NO6 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Avenanthramide A1; Avenanthramide B; N-[4'-Hydroxy-3'-methoxy-(E)-cinnamoyl]-5-hydroxyanthranilic acid | ![]() | JXFZHMCSCYADIX-XVNBXDOJSA-N | | 5-hydroxy-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]benzoic acid | 329.3041 | 2.40e-02 g/l | 2.89 | 0.0 | | | Show Entry |
| Avenanthramide 2p | PHUB000571 | 299.079372531 | C16H13NO5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Avenanthramide A; Avenanthramide A4; N-[4'-Hydroxy-(E)cinnamoyl]-5-hydroxyanthranilic acid | ![]() | QGUMNWHANDITDB-FPYGCLRLSA-N | | 5-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]benzoic acid | 299.2781 | 4.50e-02 g/l | 2.96 | 0.0 | | | Show Entry |
| Avenanthramide K | PHUB000572 | 315.074287153 | C16H13NO6 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | AVK; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-4-hydroxyanthranilic acid | ![]() | OSILFOKGSJBVLY-QHHAFSJGSA-N | | 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-4-hydroxybenzoic acid | 315.2775 | 8.67e-02 g/l | 2.55 | 0.0 | | | Show Entry |
| 8,5'-Benzofuran diferulic acid | PHUB000573 | 386.100167552 | C20H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | JTHPLBUVRLOJBB-ZZXKWVIFSA-N | | 5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid | 386.3521 | 4.16e-02 g/l | 2.99 | 0.0 | | | Show Entry |
| Caffeic acid | PHUB000574 | 180.042258744 | C9H8O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(3,4-dihydroxyphenyl)acrylic acid; 3,4-Dihydroxycinnamic acid; 3,4-Dihydroxyphenylpropenic acid; 3',4'-dihydroxycinnamic acid; trans-caffeic acid | ![]() | QAIPRVGONGVQAS-DUXPYHPUSA-N | 331-39-5 | caffeic acid | 180.1574 | 1.61e+00 g/l | 1.67 | 0.0 | American cranberry / Apple / Apple juice / Blackberry / Blueberry / Broccoli / Carrot / Cider / Coffee / Common wheat / Eggplant / European cranberry / European plum / Mate / Olive, black / Olive, green / Pear / Strawberry / Sweet cherry / Tomato / White wine grape | 3-Hydroxybenzoic acid / 4-Hydroxybenzoic acid / Benzoic acid / Protocatechuic acid / Vanillic acid / 3',4'-Dihydroxyphenylacetic acid / 4'-Hydroxyphenylacetic acid / Catechol / Coumaric acid (m-) / Dihydrocaffeic acid / Dihydro-p-coumaric acid / Ferulic acid / Isoferulic acid / 3-(3',4'-Dihydroxyphenyl)propionic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyphenylacetic acid / Phenylacetic acid / 3-Phenylpropionic acid / 3-Hydroxyhippuric acid / Caffeic acid sulfoglucuronide / Dihydroferulic acid / Ferulic acid-4'-O-glucuronide / Ferulic acid-4'-sulfate / Ferulic acid sulfoglucuronide / Feruloylglycine / Hippuric acid / Hydroxybenzoic acid / Hydroxyhippuric acid / 4-Hydroxyphenylpropionic acid / Vanilloylglycine / Dihydrocaffeic acid-3'-O-glucuronide / Isoferulic acid-3'-sulfate / 4-Hydroxyhippuric acid / Isoferulic acid-3'-O-glucuronide / Dihydroisoferulic acid / Dihydroisoferulic acid-3'-O-glucuronide / Dihydroferulic acid-4'-O-glucuronide / Dihydroferulic acid-4'-sulfate / 4-Hydroxymandelic acid / Dihydrocaffeic acid-3-sulfate / Caffeic acid 3'-sulfate / 4-Hydroxybenzoic acid -3-sulfate / 3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate / caffeic acid-3'-O-glucuronide / caffeic acid-4'-O-glucuronide / caffeic acid-4-O-sulfate / 3'-Methoxy-4'-hydroxyphenylacetic acid / 3-Hydroxybenzoic acid-4-sulfate | Show Entry |
| Caffeic acid 4-O-glucoside | PHUB000575 | 342.09508216 | C15H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | OHEYCHKLBCPRLZ-XJZYCVFKSA-N | | (2E)-3-(3-hydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid | 342.3 | 5.92e+00 g/l | -0.59 | 0.0 | | | Show Entry |
| Caffeic acid ethyl ester | PHUB000576 | 208.073558872 | C11H12O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Ethyl 3,4-dihydroxycinnamate; Ethyl caffeate | ![]() | WDKYDMULARNCIS-GQCTYLIASA-N | | ethyl cinnamate,3,4-dihydroxy | 208.2106 | 8.10e-01 g/l | 2.60 | 0.0 | | | Show Entry |
| Caffeoyl aspartic acid | PHUB000577 | 295.069201775 | C13H13NO7 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-aspartic acid | ![]() | YNHFZQQNJPOYRC-DUXPYHPUSA-N | | 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]butanedioic acid | 295.2448 | 5.51e-01 g/l | 1.47 | 0.0 | Cocoa | | Show Entry |
| Caffeoyl glucose | PHUB000578 | 342.09508216 | C15H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | WQSDYZZEIBAPIN-SKTDOXOGSA-N | | (2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | 342.3 | 6.98e+00 g/l | -0.70 | 0.0 | Blackcurrant | | Show Entry |
| Caffeoyl tartaric acid | PHUB000579 | 312.048131966 | C13H12O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Caftaric acid | ![]() | SWGKAHCIOQPKFW-LOMYTOQZSA-N | | (2S,3S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid | 312.23 | 8.16e-01 g/l | 1.68 | 0.0 | | | Show Entry |
| Caftaric acid | PHUB000580 | 312.048131982 | C13H12O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 2-O-Caffeoyltartaric acid | ![]() | SWGKAHCIOQPKFW-DUXPYHPUSA-N | | 2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid | 312.229 | 8.16e-01 g/l | 1.68 | 0.0 | Grape / Grape juice / Grape wine / Lettuce / Red wine / Spinach | Benzoic acid / 3-(3'-Hydroxyphenyl)propionic acid | Show Entry |
| Campesteryl ferulate | PHUB000581 | 576.417860283 | C38H56O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | SWIWTAJTJOYCTB-GZTJUZNOSA-N | | 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 576.862 | 7.41e-06 g/l | 7.93 | 0.0 | | | Show Entry |
| Cardanol [(15:1)-] | PHUB000582 | 302.260965715 | C21H34O | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Anacardol; Ginkgol | ![]() | YLKVIMNNMLKUGJ-FPLPWBNLSA-N | | cardanol monoene | 302.502 | 3.38e-05 g/l | 8.76 | 0.0 | | | Show Entry |
| Catechol | PHUB000583 | 110.036779436 | C6H6O2 | Polyphenols | Polyphenol metabolites | Not Available | 1,2-Dihydroxybenzene; benzene-1,2-diol; brenzcatechin; Hydroxyphenol; Pyrocatechol | ![]() | YCIMNLLNPGFGHC-UHFFFAOYSA-N | 120-80-9 | catechol | 110.1106 | 7.50e+01 g/l | 0.74 | 0.0 | Coffee / Strawberry | | Show Entry |
| Chicoric acid | PHUB000584 | 474.07982604 | C22H18O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Dicaffeoyl tartaric acid | ![]() | YDDGKXBLOXEEMN-QFZCZCNSSA-N | | chicoric acid | 474.3711 | 4.30e-02 g/l | 3.48 | 0.0 | | | Show Entry |
| 5-O-Caffeoylquinic acid | PHUB000585 | 354.095082174 | C16H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 5-Caffeoylquinic acid; Chlorogenic acid | ![]() | CWVRJTMFETXNAD-DUXPYHPUSA-N | | chlorogenic acid | 354.3087 | 3.44e+00 g/l | 0.17 | 0.0 | Apple / Apple cider / Apple juice / Apricot / Blackberry / Blackcurrant / Blueberry / Broccoli / Carrot / Cherry tomato / Cider / Coffee / Eggplant / European cranberry / European plum / Globe artichoke / Green tea / Lettuce / Mate / Olive, black / Peach / Pear / Potato / Roasted coffee / Strawberry / Sweet cherry / Tomato | 3-Hydroxybenzoic acid / Benzoic acid / Caffeic acid / Coumaric acid (m-) / Dihydrocaffeic acid / Ferulic acid / Isoferulic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3-Hydroxyhippuric acid / Hippuric acid | Show Entry |
| Cinnamic acid | PHUB000586 | 148.0524295 | C9H8O2 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-Prenylacrylic acid | ![]() | WBYWAXJHAXSJNI-VOTSOKGWSA-N | 621-82-9 | cinnamic acid | 148.1586 | 6.18e-01 g/l | 2.38 | 0.0 | American cranberry / Olive, black / Olive, green / Strawberry | | Show Entry |
| Cinnamoyl glucose | PHUB000587 | 310.10525292 | C15H18O7 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | POOVYWIYTSHEES-XMEJZXEJSA-N | | (2S,3S,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-phenylprop-2-enoate | 310.302 | 9.42e+00 g/l | -0.40 | 0.0 | | | Show Entry |
| Coumaric acid (m-) | PHUB000588 | 164.047344122 | C9H8O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(3-hydroxyphenyl)acrylic acid; 3-coumaric acid; 3-Hydroxycinnamic acid; 3'-Hydroxycinnamic acid | ![]() | KKSDGJDHHZEWEP-SNAWJCMRSA-N | 588-30-7 | m-coumaric acid | 164.158 | 1.04e+00 g/l | 1.71 | 0.0 | Blackberry / Blueberry / Broccoli / Cider / Coffee / Grapes / Lettuce / Olive, black / Olive, green / Spinach | 3-Hydroxyhippuric acid / Coumaric acid glucuronide (m-) | Show Entry |
| Coumaric acid (o-) | PHUB000589 | 164.047344122 | C9H8O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 2-Hydroxycinnamic acid; 2’-hydroxycinnamic acid; 3-(2-hydroxyphenyl)acrylic acid; trans-2-coumaric acid; trans-2-hydroxycinnamic acid | ![]() | PMOWTIHVNWZYFI-AATRIKPKSA-N | 614-60-8 | O-coumaric acid | 164.158 | 1.15e+00 g/l | 1.90 | 0.0 | American cranberry / Apple / Apple juice / Olive, black / Olive, green | | Show Entry |
| Coumaric acid (p-) | PHUB000590 | 164.047344122 | C9H8O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | (4-hydroxyphenyl)acrylic acid; 4-coumaric acid; 4-Hydroxycinnamic acid; 4'-Hydroxycinnamic acid | ![]() | NGSWKAQJJWESNS-ZZXKWVIFSA-N | 501-98-4 | coumaric acid | 164.158 | 1.02e+00 g/l | 1.74 | 0.0 | American cranberry / Apple / Apple cider / Apple juice / Beer / Blackberry / Coffee / European cranberry / Olive, black / Olive, green / Orange juice / Peanut / Strawberry / Tomato / Wheat bread | 4-Hydroxybenzoic acid / Benzoic acid / Dihydro-p-coumaric acid / 3-Phenylpropionic acid / Hippuric acid / Coumaric acid-4'-O-glucuronide / Coumaric acid sulfate (p-) / Coumaric acid sulfoglucuronide (p-) | Show Entry |
| Coumaric acid-4'-O-glucoside | PHUB000591 | 326.100167552 | C15H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 4-hydroxy-cinnamic acid-4-O-glucoside; trans-Coumaric acid glucoside | ![]() | LJFYQZQUAULRDF-FDGSXQGBSA-N | | (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid | 326.2986 | 5.08e+00 g/l | -0.35 | 0.0 | | | Show Entry |
| Coumaric acid ethyl ester (p-) | PHUB000592 | 192.07864425 | C11H12O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | ZOQCEVXVQCPESC-VMPITWQZSA-N | | ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate | 192.2112 | 1.08e+00 g/l | 3.07 | 0.0 | | | Show Entry |
| Coumaroyl glucose (p-) | PHUB000593 | 326.10016754 | C15H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DSNCQKUYZOSARM-AIABZAGBSA-N | | (2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate | 326.301 | 8.20e+00 g/l | -0.51 | 0.0 | Strawberry | | Show Entry |
| Coumaroyl glycolic acid (p-) | PHUB000594 | 222.05282343 | C11H10O5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | RMPWEBYRPJQKNT-ZZXKWVIFSA-N | | {[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}acetic acid | 222.1941 | 3.71e-01 g/l | 2.43 | 0.0 | | | Show Entry |
| Coumaroyl malic acid (p-) | PHUB000595 | 280.058302738 | C13H12O7 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | QVPHNABUSKBIMG-ZZXKWVIFSA-N | | 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid | 280.2302 | 1.42e-01 g/l | 1.64 | 0.0 | | | Show Entry |
| Coumaroyl tartaric acid (p-) | PHUB000596 | 296.05321736 | C13H12O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | coutaric acid | ![]() | INYJZRKTYXTZHP-ZZXKWVIFSA-N | | 2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid | 296.2296 | 8.63e-01 g/l | 1.49 | 0.0 | Grape | | Show Entry |
| Coumaroyl tyrosine (p-) | PHUB000597 | 327.110672659 | C18H17NO5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Deoxyclovamide; N-[4'-Hydroxy-(E)-cinnamoyl]-L-tyrosine | ![]() | LEEDEKWKJVUWGA-BJMVGYQFSA-N | | 3-(4-hydroxyphenyl)-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]propanoic acid | 327.3313 | 2.43e-02 g/l | 2.35 | 0.0 | | | Show Entry |
| Coumaroylquinic acid (p-) | PHUB000598 | 338.10016754 | C16H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | XWRHBGVVCOSNKO-KOLZQLRYSA-N | | (3S,5S)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid | 338.312 | 3.54e+00 g/l | 0.12 | 0.0 | Apple / Apple cider / Apple juice / Blueberry | | Show Entry |
| Danielone | PHUB000599 | 212.068473494 | C10H12O5 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | ZTBAPEIDNUHRNC-UHFFFAOYSA-N | | danielone | 212.1993 | 3.78e+00 g/l | 0.63 | 0.0 | | | Show Entry |
| 5,5'-Diferulic acid | PHUB000600 | 386.100167552 | C20H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | LBQZVWQOPFFQJI-GGWOSOGESA-N | | diferulic acid | 386.3521 | 1.12e-02 g/l | 2.99 | 0.0 | Barley / Common wheat / Corn / Oat | 5,5'-Dicaffeic acid / 5,5'-Dihydroferulic acid / Caffeic acid-5-5-dihydrocaffeic acid / Ferulic acid-5-5-caffeic acid / Ferulic acid-5-5-dihydroferulic acid | Show Entry |
| 8,5'-Diferulic acid | PHUB000601 | 386.10016754 | C20H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DEPVSDIYICBTJE-SITOFEAGSA-N | | (2E)-2-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-hydroxy-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | 386.356 | 1.74e-02 g/l | 3.11 | 0.0 | | | Show Entry |
| 8-O-4'-Diferulic acid | PHUB000602 | 386.10016754 | C20H18O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 8-O-4 Diferulic acid | ![]() | GGCXWTMEZZGUFT-ZMCAKAGVSA-N | | (2Z)-2-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | 386.356 | 1.03e-02 g/l | 3.44 | 0.0 | Barley / Oat | | Show Entry |
| Dicaffeoylquinic acid | PHUB000603 | 516.126776213 | C25H24O12 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | YDDUMTOHNYZQPO-KDBOUVDRSA-N | | (1S,3S,4R,5S)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid | 516.455 | 1.37e-01 g/l | 2.07 | 0.0 | | | Show Entry |
| Dihydrocaffeic acid | PHUB000604 | 182.057908808 | C9H10O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 2,3-Dihydrocaffeic acid; 3-(3,4-Dihydroxyphenyl)propanoic acid; 3-(3',4'-Dihydroxyphenyl)propionic acid; 3,4-Dihydroxy-dihydrocinnamic acid; 3,4-Dihydroxybenzenepropanoic acid | ![]() | DZAUWHJDUNRCTF-UHFFFAOYSA-N | 1078-61-1 | dihydrocaffeic acid | 182.1733 | 2.62e+00 g/l | 1.04 | 0.0 | Blueberry / Broccoli / Cider / Coffee / Common wheat / Corn / Grapes / Lemon / Lettuce / Lime / Olive, black / Olive, green / Spinach / Wheat bread | Vanillic acid / Isoferulic acid / 3-(3'-Hydroxyphenyl)propionic acid / Dihydroferulic acid / Ferulic acid-4'-sulfate / Dihydrocaffeic acid-3'-O-glucuronide / Dihydrocaffeic acid-4'-O-glucuronide / Dihydrocaffeic acid-4'-sulfate / Isoferulic acid-3'-sulfate | Show Entry |
| Dihydro-p-coumaric acid | PHUB000605 | 166.062994186 | C9H10O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3-(4-Hydroxyphenyl)propanoic acid; 3-(4'-Hydroxyphenyl)propionic acid; 4-Hydroxy-dihydrocinnamic acid; m-Hydroxy-dihydrocinnamic acid; p-Hydroxyphenylpropanoate; Phloretic acid | ![]() | NMHMNPHRMNGLLB-UHFFFAOYSA-N | 501-97-3 | hydroxyphenyl propionic acid | 166.1739 | 2.71e+00 g/l | 1.15 | 0.0 | Olive, black / Olive, green | | Show Entry |
| Eugenol | PHUB000606 | 164.083729628 | C10H12O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 2-Methoxy-4-prop-2-enylbenzene; 4-Allylguaiacol; Eugenic acid | ![]() | RRAFCDWBNXTKKO-UHFFFAOYSA-N | | eugenol | 164.2011 | 1.44e+00 g/l | 2.66 | 0.0 | Banana / Cassia cinnamon / Cloves / Coriander / Nutmeg / Sweet marjoram | | Show Entry |
| Ferulaldehyde | PHUB000607 | 178.062994186 | C10H10O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Hydroxy-3-methoxycinnamaldehyde; Coniferilaldehyde | ![]() | DKZBBWMURDFHNE-NSCUHMNNSA-N | | coniferaldehyde | 178.1846 | 1.47e+00 g/l | 2.22 | 0.0 | | | Show Entry |
| Ferulic acid | PHUB000608 | 194.057908808 | C10H10O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(4-hydroxy-3-methoxyphenyl)acrylic acid; 3-Methoxy-4-hydroxycinnamic acid; 4-Hydroxy-3-methoxycinnamic acid; 4’-hydroxy-3’-methoxycinnamic acid; trans-Ferulic acid | ![]() | KSEBMYQBYZTDHS-HWKANZROSA-N | 537-98-4 | ferulic acid | 194.184 | 9.06e-01 g/l | 1.58 | 0.0 | American cranberry / Apple juice / Beer / Bilberry / Black mulberry / Blackberry / Blueberry / Broccoli / Cocoa bean / Coffee / Common bean / Common walnut / Common wheat / Corn / Date / Eggplant / European cranberry / Fennel / Grapefruit / Hard wheat / Olive, black / Olive, green / Orange juice / Rapeseed / Red raspberry / Rice / Rosemary / Rye bread / Spinach / Strawberry / Sweet orange / Tarragon / Tomato / White wine | 3-Hydroxybenzoic acid / 4-Hydroxybenzoic acid / Protocatechuic acid / Vanillic acid / 3',4'-Dihydroxyphenylacetic acid / Dihydrocaffeic acid / Dihydro-p-coumaric acid / 3-(3'-Hydroxyphenyl)propionic acid / 3-Phenylpropionic acid / Dihydroferulic acid / Ferulic acid-4'-O-glucuronide / Ferulic acid-4'-sulfate / Ferulic acid sulfoglucuronide / Feruloylglycine / Hippuric acid / Vanilloylglycine / 3,4-Dimethoxybenzoic acid | Show Entry |
| Ferulic acid-4'-O-glucoside | PHUB000609 | 356.110732224 | C16H20O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | trans-Ferulic acid glucoside | ![]() | IEMIRSXOYFWPFD-AIQOBFMNSA-N | | (2E)-3-(3-methoxy-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid | 356.327 | 4.91e+00 g/l | -0.29 | 0.0 | | | Show Entry |
| Feruloyl glucose | PHUB000610 | 356.110732238 | C16H20O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | ADHNTNYEJYJUCU-ZSJFXSENSA-N | | (3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 356.3246 | 5.59e+00 g/l | -0.44 | 0.0 | | | Show Entry |
| Feruloyl tartaric acid | PHUB000611 | 326.063782046 | C14H14O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Fertaric acid | ![]() | XIWXUSFCUBAMFH-SCBUBVSKSA-N | | (2S,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid | 326.2556 | 6.39e-01 g/l | 1.36 | 0.0 | | | Show Entry |
| Gallic aldehyde | PHUB000612 | 154.02660868 | C7H6O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3,4,5-Trihydroxybenzoic aldehyde | ![]() | RGZHEOWNTDJLAQ-UHFFFAOYSA-N | | 3,4,5-trihydroxybenzaldehyde | 154.1201 | 6.81e+00 g/l | 0.73 | 0.0 | | | Show Entry |
| Gentisyl alcohol | PHUB000613 | 140.047344118 | C7H8O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 2,5-Dihydrobenzyl alcohol; Gentisin alcohol | ![]() | PUZSUVGRVHEUQO-UHFFFAOYSA-N | | gentisyl alcohol | 140.138 | 3.65e+01 g/l | -0.27 | 0.0 | | | Show Entry |
| Gingerdione ([6]-) | PHUB000614 | 292.167459253 | C17H24O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | PNKMFYBIRZAWQN-OWBHPGMISA-N | | gingerdione | 292.375 | 4.50e-02 g/l | 3.72 | 0.0 | | | Show Entry |
| Gingerenone A | PHUB000615 | 356.162373878 | C21H24O5 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | FWDXZNKYDTXGOT-GQCTYLIASA-N | | gingerenone A | 356.4123 | 3.60e-03 g/l | 4.24 | 0.0 | | | Show Entry |
| Gingerol ([6]-) | PHUB000616 | 294.183109317 | C17H26O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one | ![]() | NLDDIKRKFXEWBK-AWEZNQCLSA-N | | gingerol | 294.391 | 7.96e-02 g/l | 3.45 | 0.0 | | | Show Entry |
| Homovanillic acid | PHUB000617 | 182.057908808 | C9H10O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | (4-Hydroxy-3-methoxyphenyl)acetic acid; 3-Methoxy-4-hydroxyphenylacetate; 3-Methoxy-4-hydroxyphenylacetic acid; 3'-Methoxy-4'-hydroxyphenylacetic acid; 4-Hydroxy-3-methoxyphenylacetic acid | ![]() | QRMZSPFSDQBLIX-UHFFFAOYSA-N | 306-08-1 | homovanillic acid | 182.1733 | 2.72e+00 g/l | 1.02 | 0.0 | Olive, black / Olive, green | | Show Entry |
| Homoveratric acid | PHUB000618 | 196.073558872 | C10H12O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3,4-Dimethoxybenzeneacetic acid; 3,4-Dimethoxyphenylacetic acid | ![]() | WUAXWQRULBZETB-UHFFFAOYSA-N | | 3,4-dimethoxyphenylacetic acid | 196.1999 | 1.21e+00 g/l | 1.58 | 0.0 | | | Show Entry |
| Hydroxycaffeic acid | PHUB000619 | 196.037173366 | C9H8O5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | RHGWNBSOWGUGPA-DUXPYHPUSA-N | | (2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid | 196.1568 | 1.43e+00 g/l | 1.48 | 0.0 | | | Show Entry |
| Isochlorogenic acid b | PHUB000620 | 514.147511657 | C26H26O11 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | KWDHTKPGVPXTCW-OKXQOVHHSA-N | | (1R,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxy-1-methylcyclohexane-1-carboxylic acid | 514.483 | 2.83e-02 g/l | 2.57 | 0.0 | | | Show Entry |
| Isoeugenol | PHUB000621 | 164.083729628 | C10H12O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 4-Propenylguaiacol | ![]() | BJIOGJUNALELMI-ONEGZZNKSA-N | | isoeugenol | 164.2011 | 1.36e+00 g/l | 2.79 | 0.0 | | | Show Entry |
| Isoferulic acid | PHUB000622 | 194.057908808 | C10H10O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-hydroxy-4-methoxycinnamic acid; 3-hydroxy-4-methoxyphenyl)acrylic acid; 3’-hydroxy-4’-methoxycinnamic acid; 4-Methylcaffeic acid; hesperetate; Hesperetic acid | ![]() | QURCVMIEKCOAJU-HWKANZROSA-N | 537-73-5 | isoferulic acid | 194.184 | 8.71e-01 g/l | 1.56 | 0.0 | | Caffeic acid / 5-O-Caffeoylquinic acid / Dihydrocaffeic acid | Show Entry |
| Melilotic acid | PHUB000623 | 166.062994186 | C9H10O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3-(2-Hydroxyphenyl)propionic acid; Dihydro-o-coumaric acid; o-Hydrocoumaric acid | ![]() | CJBDUOMQLFKVQC-UHFFFAOYSA-N | | melilotic acid | 166.1739 | 2.76e+00 g/l | 1.12 | 0.0 | | | Show Entry |
| Methoxyphenylacetic acid | PHUB000624 | 166.062994186 | C9H10O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | DIWVBIXQCNRCFE-UHFFFAOYSA-N | | methoxy(phenyl)acetic acid | 166.1739 | 1.06e+01 g/l | 0.77 | 0.0 | Olive, black | | Show Entry |
| Neochlorogenic acid | PHUB000625 | 354.095082174 | C16H18O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-Caffeoylquinic acid | ![]() | CWVRJTMFETXNAD-DUXPYHPUSA-N | | chlorogenic acid | 354.3087 | | | 0.0 | Apricot / Sweet cherry | | Show Entry |
| Paeonol | PHUB000626 | 166.062994186 | C9H10O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 2'-Hydroxy-4'-methoxyacetophenone | ![]() | UILPJVPSNHJFIK-UHFFFAOYSA-N | | paeonol | 166.1739 | 2.98e+00 g/l | 1.60 | 0.0 | | | Show Entry |
| Paradol ([6]-) | PHUB000627 | 278.188194698 | C17H26O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | CZNLTCTYLMYLHL-UHFFFAOYSA-N | | paradol | 278.3865 | 1.13e-02 g/l | 4.89 | 0.0 | | | Show Entry |
| Phenethyl alcohol | PHUB000628 | 122.073164942 | C8H10O | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Benzyl alcohol; beta-Hydroxyethylbenzene | ![]() | WRMNZCZEMHIOCP-UHFFFAOYSA-N | | phenylethanol | 122.1644 | 1.13e+01 g/l | 1.51 | 0.0 | | | Show Entry |
| Phenethyl caffeate | PHUB000629 | 284.104859 | C17H16O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | SWUARLUWKZWEBQ-VQHVLOKHSA-N | | caffeic acid phenethyl ester | 284.3065 | 6.29e-02 g/l | 3.65 | 0.0 | | | Show Entry |
| Prenyl caffeate | PHUB000630 | 248.104859 | C14H16O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | TTYOHMFLCXENHR-GQCTYLIASA-N | | prenyl caffeate | 248.2744 | 1.57e-01 g/l | 3.24 | 0.0 | | | Show Entry |
| Protocatechuic aldehyde | PHUB000631 | 138.031694058 | C7H6O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3,4-Dihydroxybenzoic aldehyde | ![]() | IBGBGRVKPALMCQ-UHFFFAOYSA-N | | 3,4-dihydroxybenzaldehyde | 138.1207 | 1.43e+01 g/l | 0.89 | 0.0 | | | Show Entry |
| 1,2,3-Trihydroxybenzene | PHUB000632 | 126.031694058 | C6H6O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 1,2,3-Benzenetriol; 1,2,3-benzoltriol; 1,2,3-trihydroxyphenol; Pyrogallic acid | ![]() | WQGWDDDVZFFDIG-UHFFFAOYSA-N | 87-66-1 | pyrogallol | 126.11 | 5.18e+01 g/l | 0.34 | 0.0 | | Pyrogallol-2-O-sulfate | Show Entry |
| Quinic acid | PHUB000633 | 192.063388116 | C7H12O6 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | AAWZDTNXLSGCEK-UHFFFAOYSA-N | | quinic acid | 192.1666 | 7.65e+02 g/l | -2.46 | 0.0 | Apple / Banana / Bell pepper (Capsicum annuum, mild varieties) / Blueberry / Carrot / Cider / Coffee / German camomile / Mango / Papaya / Pineapple | Hippuric acid | Show Entry |
| Rosmarinic acid | PHUB000634 | 360.084517475 | C18H16O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DOUMFZQKYFQNTF-GIZXNFQBSA-N | | (S)-rosmarinic acid | 360.318 | 4.07e-02 g/l | 2.57 | 0.0 | Common oregano / Common sage / Common thyme / Mentha (Mint) / Peppermint / Rosemary / Sweet basil | Caffeic acid / Coumaric acid (m-) / 3-(3'-Hydroxyphenyl)propionic acid / Ferulic acid-4'-sulfate / caffeic acid-4-O-sulfate / m-coumaric acid 3-O-sulfate | Show Entry |
| Schottenol ferulate | PHUB000635 | 590.433510348 | C39H58O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | BGOCOVGWMXAQCQ-VYVGHQJLSA-N | | | 590.889 | 8.29e-06 g/l | 9.18 | 0.0 | | | Show Entry |
| Shogaol ([6]-) | PHUB000636 | 276.172544633 | C17H24O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | OQWKEEOHDMUXEO-BQYQJAHWSA-N | | shogaol | 276.376 | 8.88e-03 g/l | 4.95 | 0.0 | | | Show Entry |
| Sinapaldehyde | PHUB000637 | 208.073558872 | C11H12O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | | ![]() | CDICDSOGTRCHMG-ONEGZZNKSA-N | | sinapyl aldehyde | 208.2106 | 6.79e-01 g/l | 2.22 | 0.0 | | | Show Entry |
| Sinapic acid | PHUB000638 | 224.068473494 | C11H12O5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3,5-Dimethoxy-4-hydroxycinnamic acid; Sinapate; Sinapinic acid; Synapoic acid | ![]() | PCMORTLOPMLEFB-ONEGZZNKSA-N | | sinapinic acid | 224.21 | 6.31e-01 g/l | 1.63 | 0.0 | American cranberry / Beer / Cranberry / Olive, black / Olive, green / Orange juice / Rapeseed / Vinegar / White wine | Sinapic acid O-glucuronide / Sinapic acid-O-sulfate | Show Entry |
| Sinapine | PHUB000639 | 310.165447883 | C16H24NO5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 4-Hydroxy-3,5-dimethoxycinnamate choline; Sinapic acid choline ester | ![]() | HUJXHFRXWWGYQH-UHFFFAOYSA-O | | (2-{[(2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium | 310.3655 | 1.41e-02 g/l | -0.93 | 0.0 | Rapeseed | | Show Entry |
| Sitostanyl ferulate | PHUB000640 | 592.449160412 | C39H60O4 | Miscellaneous phytochemicals | Not Available | Not Available | | ![]() | RAKOKKNCCBUUMP-PSYAQTGMSA-N | | | 592.905 | | | 0.0 | | | Show Entry |
| Sitosterol ferulate | PHUB000641 | 590.433510348 | C39H58O4 | Miscellaneous phytochemicals | Not Available | Not Available | | ![]() | ROUSJNZGMHNWOS-ZJNSRLKFSA-N | | (2S,5R,14S,15S)-14-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 590.889 | 7.34e-06 g/l | 8.42 | 0.0 | | | Show Entry |
| Stigmastanol ferulate | PHUB000642 | 592.449160412 | C39H60O4 | Miscellaneous phytochemicals | Not Available | Not Available | | ![]() | RAKOKKNCCBUUMP-PSYAQTGMSA-N | | (2R,5R,14S,15S)-14-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 592.905 | 4.39e-06 g/l | 8.26 | 0.0 | | | Show Entry |
| Subaphyllin | PHUB000643 | 264.147392512 | C14H20N2O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Feruoylputrescine | ![]() | SFUVCMKSYKHYLD-FNORWQNLSA-N | | (2E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide | 264.325 | 2.89e-01 g/l | 0.90 | 0.0 | | | Show Entry |
| Syringaldehyde | PHUB000644 | 182.057908808 | C9H10O4 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3,5-Dimethoxy-4-hydroxybenzoic aldehyde | ![]() | KCDXJAYRVLXPFO-UHFFFAOYSA-N | | syringaldehyde | 182.1733 | 3.68e+00 g/l | 1.33 | 0.0 | | | Show Entry |
| Vanillin | PHUB000645 | 152.047344122 | C8H8O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3-Methoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3-methoxy-benzoic aldehyde; 4-Hydroxy-3-methoxybenzaldehyde; Methylprotocatechuic aldehyde; p-Vanillin; Vanillic aldehyde | ![]() | MWOOGOJBHIARFG-UHFFFAOYSA-N | 121-33-5 | vanillin | 152.1473 | 5.05e+00 g/l | 1.31 | 0.0 | Vanilla | Vanillin 4-sulfate | Show Entry |
| Verbascoside | PHUB000646 | 624.205420459 | C29H36O15 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 2-(3,4-Dihydroxyphenylethyl) 1-O-a-l-rhamnopyranosyl-(1-3)-b-d-(4-O-caffeyl) glucopyranoside; Acteoside; Acteoside 1; Caffeoyl-rhamnosyl-glucoside of hydroxytyrosol; Kusaginin | ![]() | FBSKJMQYURKNSU-YHMBLVDVSA-N | | (2S,3S,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | 624.592 | 9.66e-01 g/l | 1.09 | 0.0 | Olive, black / Olive, green | | Show Entry |
| 3,7-Dimethylquercetin | PHUB000647 | 330.073952802 | C17H14O7 | Polyphenols | Flavonoids | Flavonols | 5,3',4'-Trihydroxy-3,7-dimethoxyflavone | ![]() | LUJAXSNNYBCFEE-UHFFFAOYSA-N | | DTHF | 330.2889 | 6.33e-02 g/l | 3.00 | 0.0 | | | Show Entry |
| 3-Methoxynobiletin | PHUB000648 | 432.142032366 | C22H24O9 | Polyphenols | Flavonoids | Flavonols | 3,5,6,7,8,3',4'-Heptamethoxyflavone | ![]() | SSXJHQZOHUYEGD-UHFFFAOYSA-N | | 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one | 432.4206 | 1.10e-02 g/l | 2.39 | 0.0 | | | Show Entry |
| 3-Methoxysinensetin | PHUB000649 | 402.13146768 | C21H22O8 | Polyphenols | Flavonoids | Flavonols | 3,5,6,7,3',4'-Hexamethoxyflavone | ![]() | CHXSDKWBSFDZEU-UHFFFAOYSA-N | | hexamethylquercetagetin | 402.3946 | 9.91e-03 g/l | 2.51 | 0.0 | | | Show Entry |
| 5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide | PHUB000650 | 520.085305348 | C23H20O14 | Polyphenols | Flavonoids | Flavonols | | ![]() | CHIQYVBCRPLTQS-QJAHINBCSA-N | | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid | 520.3965 | 1.06e+00 g/l | 1.22 | 0.0 | Spinach | | Show Entry |
| 5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide | PHUB000651 | 534.100955412 | C24H22O14 | Polyphenols | Flavonoids | Flavonols | | ![]() | SYRSHYBWNZNHHW-NKUGBYDDSA-N | | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid | 534.4231 | 7.17e-01 g/l | 0.99 | 0.0 | Spinach | | Show Entry |
| 6,8-Dihydroxykaempferol | PHUB000652 | 318.037567296 | C15H10O8 | Polyphenols | Flavonoids | Flavonols | 3,5,6,7,8,4'-Hexahydroxyflavone | ![]() | WZIBNDUAQVRELQ-UHFFFAOYSA-N | | 3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)chromen-4-one | 318.2351 | 3.44e-01 g/l | 1.72 | 0.0 | | | Show Entry |
| Astragalin | PHUB000653 | 448.100561482 | C21H20O11 | Polyphenols | Flavonoids | Flavonols | Kaempferol 3-O-glucoside | ![]() | JPUKWEQWGBDDQB-QSOFNFLRSA-N | | astragalin | 448.3769 | 1.58e+00 g/l | 0.52 | 0.0 | Broccoli / Strawberry | | Show Entry |
| Avicularin | PHUB000654 | 434.084911418 | C20H18O11 | Polyphenols | Flavonoids | Flavonols | Quercetin 3-O-arabinoside | ![]() | PZZRDJXEMZMZFD-IEGSVRCHSA-N | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one | 434.3503 | 1.38e+00 g/l | 0.70 | 0.0 | American cranberry / Apple | | Show Entry |
| Axillarin | PHUB000655 | 346.068867424 | C17H14O8 | Polyphenols | Flavonoids | Flavonols | Quercetagenin 3,6-dimethyl ether | ![]() | KIGVXRGRNLQNNI-UHFFFAOYSA-N | | axillarin | 346.2883 | 1.11e-01 g/l | 2.66 | 0.0 | | | Show Entry |
| Chrysosplenetin | PHUB000656 | 374.100167552 | C19H18O8 | Polyphenols | Flavonoids | Flavonols | Polycladin; Quercetagenin 3,6,7,3'-tetramethyl ether | ![]() | NBVTYGIYKCPHQN-UHFFFAOYSA-N | | chrysosplenetin | 374.3414 | 4.47e-02 g/l | 2.66 | 0.0 | | | Show Entry |
| Fisetin | PHUB000657 | 286.047738052 | C15H10O6 | Polyphenols | Flavonoids | Flavonols | | ![]() | XHEFDIBZLJXQHF-UHFFFAOYSA-N | | viset | 286.2363 | 1.51e-01 g/l | 2.03 | 0.0 | | | Show Entry |
| Galangin | PHUB000658 | 270.05282343 | C15H10O5 | Polyphenols | Flavonoids | Flavonols | 3,5,7-Trihydroxyflavone | ![]() | VCCRNZQBSJXYJD-UHFFFAOYSA-N | | galangin | 270.2369 | 1.17e-01 g/l | 2.39 | 0.0 | | | Show Entry |
| Galangin 3,5,7-trimethyl ether | PHUB000659 | 312.099773615 | C18H16O5 | Polyphenols | Flavonoids | Flavonols | | ![]() | CBTHKWVPSIGKMI-UHFFFAOYSA-N | | galangin trimethyl ether | 312.321 | 2.85e-02 g/l | 3.25 | 0.0 | | | Show Entry |
| Hyperin | PHUB000660 | 464.095476104 | C21H20O12 | Polyphenols | Flavonoids | Flavonols | Hyperoside; Quercetin 3-O-galactoside | ![]() | OVSQVDMCBVZWGM-DTGCRPNFSA-N | | hyperoside | 464.3763 | 1.95e+00 g/l | 0.47 | 0.0 | Almond / American cranberry / Apple / Apple juice / Black tea / Blackberry / Green tea | | Show Entry |
| Isoquercitrin | PHUB000661 | 464.095476104 | C21H20O12 | Polyphenols | Flavonoids | Flavonols | Quercetin 3-O-glucoside | ![]() | OVSQVDMCBVZWGM-QSOFNFLRSA-N | | isoquercitin | 464.3763 | 1.95e+00 g/l | 0.47 | 0.0 | Apple / Apple juice / Black tea / Blackberry / Broccoli / Lettuce / Onion | | Show Entry |
| Isorhamnetin | PHUB000662 | 316.058302738 | C16H12O7 | Polyphenols | Flavonoids | Flavonols | 3,5,7,4'-Tetrahydroxy-3'-methoxyflavone; 3'-Methylquercetin | ![]() | IZQSVPBOUDKVDZ-UHFFFAOYSA-N | | isorhamnetin | 316.2623 | 1.49e-01 g/l | 1.96 | 0.0 | Onion | | Show Entry |
| Isorhamnetin 3-O-galactoside | PHUB000663 | 478.111126168 | C22H22O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | CQLRUIIRRZYHHS-UVHBULKNSA-N | | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 478.4029 | 1.22e+00 g/l | 0.64 | 0.0 | | | Show Entry |
| Isorhamnetin 3-O-glucoside | PHUB000664 | 478.111126168 | C22H22O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | CQLRUIIRRZYHHS-LFXZADKFSA-N | | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 478.4029 | 1.22e+00 g/l | 0.64 | 0.0 | Strawberry | | Show Entry |
| Isorhamnetin 3-O-glucoside 7-O-rhamnoside | PHUB000665 | 624.169034976 | C28H32O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | NEJKEXUJCSYMCC-PXBUXKMDSA-N | | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one | 624.5441 | 2.53e+00 g/l | -0.10 | 0.0 | | | Show Entry |
| Isorhamnetin 3-O-glucuronide | PHUB000666 | 492.090390726 | C22H20O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | VVZWHOMBDMMRSC-NTKSAMNMSA-N | 36687-76-0 | (2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 492.3864 | 1.71e+00 g/l | 1.40 | 0.0 | | Quercetin / Quercetin 3,4'-O-diglucoside / Quercetin 4'-O-glucoside | Show Entry |
| Isorhamnetin 3-O-rutinoside | PHUB000667 | 462.116211546 | C22H22O11 | Polyphenols | Flavonoids | Flavonols | | ![]() | VCUKTRIKOSSHLY-HMMBGAFDSA-N | | 3-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | 462.4035 | 9.63e-01 g/l | 1.68 | 0.0 | | | Show Entry |
| Isorhamnetin 4'-O-glucoside | PHUB000668 | 478.111126168 | C22H22O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | VTDBDVABTGGRMO-UHFFFAOYSA-N | | 3,5,7-trihydroxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one | 478.4029 | 8.97e-01 g/l | 0.50 | 0.0 | Onion | | Show Entry |
| Isorhamnetin 7-O-rhamnoside | PHUB000669 | 478.111126168 | C22H22O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | YCUNOXSUHVGZRI-XMHBHJPISA-N | | 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 478.4029 | 1.07e+00 g/l | 0.49 | 0.0 | | | Show Entry |
| Jaceidin 4'-O-glucuronide | PHUB000670 | 536.116605476 | C24H24O14 | Polyphenols | Flavonoids | Flavonols | | ![]() | IXUDTZUOBGRRSD-NKUGBYDDSA-N | | (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 536.439 | 9.80e-01 g/l | 1.33 | 0.0 | | | Show Entry |
| Kaempferide | PHUB000671 | 299.055563084 | C16H11O6 | Polyphenols | Flavonoids | Flavonols | 3,5,7-Trihydroxy-4'-methoxyflavone; 4'-Methylkaempferol | ![]() | SQFSKOYWJBQGKQ-UHFFFAOYSA-M | | kaempferide(1-) | 299.2549 | 1.24e-01 g/l | 2.76 | 0.0 | | | Show Entry |
| Kaempferol | PHUB000672 | 286.047738052 | C15H10O6 | Polyphenols | Flavonoids | Flavonols | 3,5,7,4'-Tetrahydroxyflavone | ![]() | IYRMWMYZSQPJKC-UHFFFAOYSA-N | | kaempferol | 286.2363 | 1.78e-01 g/l | 1.99 | 0.0 | Black tea / Broccoli / Common cabbage / Onion | Kaempferol 3-glucuronide | Show Entry |
| Kaempferol 3,7,4'-O-triglucoside | PHUB000673 | 772.206208342 | C33H40O21 | Polyphenols | Flavonoids | Flavonols | | ![]() | GZKTYMIMRMNEII-GZIDCZEMSA-N | | 5-hydroxy-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one | 772.6581 | 7.55e+00 g/l | -1.21 | 0.0 | | | Show Entry |
| Kaempferol 3,7-O-diglucoside | PHUB000674 | 610.153384912 | C27H30O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | XFFQVRFGLSBFON-DEFKTLOSSA-N | | 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one | 610.5175 | 3.81e+00 g/l | -0.69 | 0.0 | Broccoli | | Show Entry |
| Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside | PHUB000675 | 784.206208342 | C34H40O21 | Polyphenols | Flavonoids | Flavonols | | ![]() | UNWFAGYVJIJZNQ-KINVIYQBSA-N | | [(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl hydrogen carbonate | 784.6688 | 4.87e+00 g/l | 0.08 | 0.0 | | | Show Entry |
| Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside | PHUB000676 | 740.216379098 | C33H40O19 | Polyphenols | Flavonoids | Flavonols | | ![]() | DDELFAUOHDSZJL-KINVIYQBSA-N | | 3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one | 740.6593 | 6.09e+00 g/l | -0.26 | 0.0 | | | Show Entry |
| Kaempferol 3-O-(6''-malonyl-glucoside) | PHUB000677 | 534.100955412 | C24H22O14 | Polyphenols | Flavonoids | Flavonols | | ![]() | XEXCLTHHXIWUHO-UJKBSQBPSA-N | | 3-{[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid | 534.4231 | 8.22e-01 g/l | 1.21 | 0.0 | | | Show Entry |
| Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside | PHUB000678 | 636.169034976 | C29H32O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | GMYLPJSOUAYAGD-UGFNMZIJSA-N | | [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}oxan-2-yl]methyl acetate | 636.5548 | 1.64e+00 g/l | 0.45 | 0.0 | | | Show Entry |
| Kaempferol 3-O-acetyl-glucoside | PHUB000679 | 490.111126168 | C23H22O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | AKENCGNASJPQNR-LNNZMUSMSA-N | | [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate | 490.4136 | 9.67e-01 g/l | 1.46 | 0.0 | | | Show Entry |
| Kaempferol 3-O-galactoside 7-O-rhamnoside | PHUB000680 | 594.15847029 | C27H30O15 | Polyphenols | Flavonoids | Flavonols | | ![]() | JYXSWDCPHRTYGU-UHFFFAOYSA-N | | 5-hydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one | 594.5181 | 2.61e+00 g/l | -0.18 | 0.0 | | | Show Entry |
| Kaempferol 3-O-glucosyl-rhamnosyl-galactoside | PHUB000681 | 756.21129372 | C33H40O20 | Polyphenols | Flavonoids | Flavonols | | ![]() | MFIXKYXSBNIMPX-CHLFRWFTSA-N | | 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 756.6587 | 8.88e+00 g/l | -0.59 | 0.0 | | | Show Entry |
| Kaempferol 3-O-glucosyl-rhamnosyl-glucoside | PHUB000682 | 756.21129372 | C33H40O20 | Polyphenols | Flavonoids | Flavonols | | ![]() | MFIXKYXSBNIMPX-PBVGSPQASA-N | | 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 756.6587 | 8.88e+00 g/l | -0.59 | 0.0 | Black tea | | Show Entry |
| Kaempferol 3-O-glucuronide | PHUB000683 | 462.07982604 | C21H18O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | FNTJVYCFNVUBOL-UHFFFAOYSA-N | | 6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 462.3604 | 1.96e+00 g/l | 1.40 | 0.0 | Strawberry | | Show Entry |
| Kaempferol 3-O-rhamnoside | PHUB000684 | 431.097821828 | C21H19O10 | Polyphenols | Flavonoids | Flavonols | | ![]() | SOSLMHZOJATCCP-MKMJNHTISA-M | | 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-5-olate | 431.3696 | 1.19e+00 g/l | 1.38 | 0.0 | | | Show Entry |
| Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside | PHUB000685 | 740.216379098 | C33H40O19 | Polyphenols | Flavonoids | Flavonols | | ![]() | WQRYALSJYYLFRY-YBDKOUSASA-N | | 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 740.6593 | 6.58e+00 g/l | -0.12 | 0.0 | | | Show Entry |
| Kaempferol 3-O-rutinoside | PHUB000686 | 594.15847029 | C27H30O15 | Polyphenols | Flavonoids | Flavonols | Kaempferol 3-O-rhamnosyl-glucoside; Nicotiflorine | ![]() | RTATXGUCZHCSNG-QHWHWDPRSA-N | | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one | 594.5181 | 3.07e+00 g/l | 0.07 | 0.0 | Almond / Apricot / Black tea / Green tea / Strawberry | | Show Entry |
| Kaempferol 3-O-sophoroside | PHUB000687 | 610.153384912 | C27H30O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | LKZDFKLGDGSGEO-UJECXLDQSA-N | | kaempferol 3-o-sophoroside | 610.5175 | 6.07e+00 g/l | -0.55 | 0.0 | Broccoli | | Show Entry |
| Kaempferol 3-O-sophoroside 7-O-glucoside | PHUB000688 | 772.206208342 | C33H40O21 | Polyphenols | Flavonoids | Flavonols | | ![]() | MBFNAZBJKVFNKZ-UHFFFAOYSA-N | | 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 772.6581 | 1.27e+01 g/l | -0.96 | 0.0 | | | Show Entry |
| Kaempferol 3-O-xylosyl-glucoside | PHUB000689 | 580.142820226 | C26H28O15 | Polyphenols | Flavonoids | Flavonols | | ![]() | XZTRGHMNLXAJPZ-DGBSRBSYSA-N | | 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 580.4915 | 2.95e+00 g/l | -0.18 | 0.0 | | | Show Entry |
| Kaempferol 3-O-xylosyl-rutinoside | PHUB000690 | 740.216379098 | C33H40O19 | Polyphenols | Flavonoids | Flavonols | | ![]() | UYVBMGULWGRDQT-VLYLGZBPSA-N | | 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 740.6593 | 6.09e+00 g/l | -0.12 | 0.0 | | | Show Entry |
| Kaempferol 7-O-glucoside | PHUB000691 | 448.100561464 | C21H20O11 | Polyphenols | Flavonoids | Flavonols | | ![]() | YPWHZCPMOQGCDQ-CXWQUDHASA-N | | 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 448.38 | 1.30e+00 g/l | 0.33 | 0.0 | | | Show Entry |
| Methylgalangin | PHUB000692 | 284.068473494 | C16H12O5 | Polyphenols | Flavonoids | Flavonols | | ![]() | LYISDADPVOHJBJ-UHFFFAOYSA-N | | galangin 3-methyl ether | 284.2635 | 6.63e-02 g/l | 3.49 | 0.0 | | | Show Entry |
| Morin | PHUB000693 | 302.042652674 | C15H10O7 | Polyphenols | Flavonoids | Flavonols | 3,5,7,2',4'-Pentahydroxyflavone | ![]() | YXOLAZRVSSWPPT-UHFFFAOYSA-N | | bois d,arc | 302.2357 | 3.05e-01 g/l | 2.23 | 0.0 | | | Show Entry |
| Myricetin | PHUB000694 | 318.037567296 | C15H10O8 | Polyphenols | Flavonoids | Flavonols | 3,5,7,3',4',5'-Hexahydroxyflavone | ![]() | IKMDFBPHZNJCSN-UHFFFAOYSA-N | | myricetin | 318.2351 | 3.01e-01 g/l | 1.66 | 0.0 | American cranberry / Black tea / Blackberry / Blackcurrant / Broccoli / Common bean / Common cabbage / European cranberry / Red wine / Strawberry | Myricetin 3-O-glucuronide / Myricetin 5-O-glucuronide / Myricetin 7-O-glucuronide | Show Entry |
| Myricetin 3-O-arabinoside | PHUB000695 | 450.07982604 | C20H18O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | OXJKSVCEIOYZQL-UHFFFAOYSA-N | | 3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one | 450.3497 | 1.68e+00 g/l | 0.65 | 0.0 | American cranberry | | Show Entry |
| Myricetin 3-O-galactoside | PHUB000696 | 480.090390726 | C21H20O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | FOHXFLPXBUAOJM-MGMURXEASA-N | | 5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one | 480.3757 | 2.31e+00 g/l | 0.49 | 0.0 | | | Show Entry |
| Myricetin 3-O-glucoside | PHUB000697 | 480.090390726 | C21H20O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | ZJYAVUPWMNHHEU-GFOOFYSOSA-N | | 2-(3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one | 480.3757 | 2.23e+00 g/l | 0.44 | 0.0 | | | Show Entry |
| Myricetin 3-O-rutinoside | PHUB000698 | 626.148299534 | C27H30O17 | Polyphenols | Flavonoids | Flavonols | Myricetin 3-O-rhamnosyl-glucoside | ![]() | QCIILLDRJZPUDI-UHFFFAOYSA-N | | 5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)chromen-4-one | 626.5169 | 4.45e+00 g/l | 0.23 | 0.0 | | | Show Entry |
| Myricitrin | PHUB000699 | 464.095476104 | C21H20O12 | Polyphenols | Flavonoids | Flavonols | Myricetin 3-O-rhamnoside | ![]() | DCYOADKBABEMIQ-OWMUPTOHSA-N | | myricitrin | 464.3763 | 2.43e+00 g/l | 1.18 | 0.0 | | | Show Entry |
| Patuletin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside | PHUB000700 | 964.248467086 | C43H48O25 | Polyphenols | Flavonoids | Flavonols | | ![]() | VSMDAOFJZBLZOB-JFGFUAGISA-N | | (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 964.8262 | 1.49e+00 g/l | 1.00 | 0.0 | Spinach | | Show Entry |
| Patuletin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside | PHUB000701 | 788.201122964 | C33H40O22 | Polyphenols | Flavonoids | Flavonols | | ![]() | IQBTXBIIGNASBG-UHFFFAOYSA-N | | 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one | 788.6575 | 9.58e+00 g/l | -0.74 | 0.0 | Spinach | | Show Entry |
| Quercetin | PHUB000702 | 302.042652674 | C15H10O7 | Polyphenols | Flavonoids | Flavonols | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; 3,5,7,3',4'-Pentahydroxyflavone; Meletin; Quercetine; Quercetol; Sophoretin | ![]() | REFJWTPEDVJJIY-UHFFFAOYSA-N | 117-39-5 | quercetin | 302.2357 | 2.61e-01 g/l | 1.81 | 0.0 | American cranberry / Apple / Apple juice / Black tea / Blackberry / Broccoli / Cherry tomato / European cranberry / Green tea / Lettuce / Onion / Orange juice / Parsnip / Tomato | Benzoic acid / Protocatechuic acid / 3',4'-Dihydroxyphenylacetic acid / 4-Ethylphenol / 4'-Hydroxyphenylacetic acid / Dihydro-p-coumaric acid / Homovanillic acid / Isorhamnetin / Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / 3'-Hydroxyphenylacetic acid / Phloroglucinol / 2,4,6-Trihydroxybenzoic acid / 2-Methoxyphenylacetic acid / 4-Ethylbenzoic acid / Isorhamnetin 7-O-glucuronide / Quercetin 3'-O-glucuronide / Quercetin 4'-O-glucuronide / Quercetin 7-O-glucuronide / Quercetin glucuronide / 3-Hydroxyhippuric acid / Quercetin diglucuronide / Methylquercetin diglucuronide / Quercetin glucuronide sulfate / Isorhamnetin 4'-O-glucuronide / Quercetin 3'-O-sulfate / Quercetin sulfate / 4-Hydroxyhippuric acid / Quercetin 7-O-sulfate | Show Entry |
| Quercetin 3,4'-O-diglucoside | PHUB000703 | 626.148299534 | C27H30O17 | Polyphenols | Flavonoids | Flavonols | | ![]() | RPVIQWDFJPYNJM-DEFKTLOSSA-N | | 5,7-dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 626.5169 | 4.59e+00 g/l | -0.80 | 0.0 | Onion | Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / Quercetin 3'-O-glucuronide / Quercetin diglucuronide / Quercetin glucuronide sulfate / Quercetin 3'-O-sulfate | Show Entry |
| Quercetin 3-O-(6''-malonyl-glucoside) | PHUB000704 | 550.095870008 | C24H22O15 | Polyphenols | Flavonoids | Flavonols | | ![]() | NBQPHANHNTWDML-UJKBSQBPSA-N | | quercetin 3-O-malonylglucoside | 550.425 | 1.16e+00 g/l | 1.14 | 0.0 | | | Show Entry |
| Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside | PHUB000705 | 712.148693464 | C30H32O20 | Polyphenols | Flavonoids | Flavonols | | ![]() | ZLQYEKDHCDLAGO-UHFFFAOYSA-N | | 3-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid | 712.5631 | 2.86e+00 g/l | -0.01 | 0.0 | | | Show Entry |
| Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside | PHUB000706 | 652.163949598 | C29H32O17 | Polyphenols | Flavonoids | Flavonols | | ![]() | QBFLREGYLMFMCL-UHFFFAOYSA-N | | (6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate | 652.5542 | 1.84e+00 g/l | 0.42 | 0.0 | | | Show Entry |
| Quercetin 3-O-acetyl-rhamnoside | PHUB000707 | 490.111126148 | C23H22O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | QYSPPPJDISHVRH-UHFFFAOYSA-N | | 2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate | 490.417 | 1.15e+00 g/l | 2.39 | 0.0 | | | Show Entry |
| Quercetin 3-O-galactoside 7-O-rhamnoside | PHUB000708 | 610.153384886 | C27H30O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | OTUCXMIQUNROBJ-QMDWLNLESA-N | | 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one | 610.521 | 3.37e+00 g/l | -0.24 | 0.0 | | | Show Entry |
| Quercetin 3-O-glucosyl-rhamnosyl-galactoside | PHUB000709 | 772.206208308 | C33H40O21 | Polyphenols | Flavonoids | Flavonols | | ![]() | XEFNBVWDOQCMSG-NMNTUQBFSA-N | | 3-{[(2R,3S,4R,5S,6S)-6-({[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 772.662 | 1.04e+01 g/l | -0.56 | 0.0 | Black tea | | Show Entry |
| Quercetin 3-O-glucosyl-rhamnosyl-glucoside | PHUB000710 | 772.206208308 | C33H40O21 | Polyphenols | Flavonoids | Flavonols | | ![]() | XEFNBVWDOQCMSG-SMBODKLQSA-N | | 3-{[(2R,3S,4R,5R,6S)-6-({[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 772.662 | 1.04e+01 g/l | -0.56 | 0.0 | Black tea | | Show Entry |
| Quercetin 3-O-glucosyl-xyloside | PHUB000711 | 596.137734822 | C26H28O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | ZFGBNYDDAJMWAZ-QVIYDXLUSA-N | | 3-{[(2R,3S,4R,5R,6S)-6-({[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 596.494 | 3.65e+00 g/l | -0.08 | 0.0 | | | Show Entry |
| Quercetin 3-O-glucuronide | PHUB000712 | 478.074740662 | C21H18O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | DUBCCGAQYVUYEU-UHFFFAOYSA-N | 22688-79-5 | miquelianin | 478.3598 | 2.40e+00 g/l | 1.37 | 0.0 | Lettuce / Strawberry | | Show Entry |
| Quercetin 3-O-rhamnosyl-galactoside | PHUB000713 | 610.153384886 | C27H30O16 | Polyphenols | Flavonoids | Flavonols | | ![]() | FYBMGZSDYDNBFX-FRGHCPTHSA-N | | 3-{[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 610.521 | 4.78e+00 g/l | 0.15 | 0.0 | | | Show Entry |
| Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside | PHUB000714 | 756.211293688 | C33H40O20 | Polyphenols | Flavonoids | Flavonols | 2)-rhamnosyl-(1-> 6)-glucoside; Quercetin 3-O-rhamnosyl-(1-> | ![]() | PWFJILMZPHBSAY-YXVKQPDWSA-N | | 3-{[(2R,3S,4R,5S,6S)-6-({[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 756.663 | 6.15e+00 g/l | -0.09 | 0.0 | | | Show Entry |
| Quercetin 3-O-sophoroside | PHUB000715 | 626.148299506 | C27H30O17 | Polyphenols | Flavonoids | Flavonols | | ![]() | RDUAJIJVNHKTQC-WWXIKMEQSA-N | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 626.52 | 7.32e+00 g/l | -0.50 | 0.0 | Broccoli | | Show Entry |
| Quercetin 3-O-xyloside | PHUB000716 | 434.0849114 | C20H18O11 | Polyphenols | Flavonoids | Flavonols | Reynoutrin | ![]() | PZZRDJXEMZMZFD-NLUOOAQGSA-N | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one | 434.353 | 1.38e+00 g/l | 0.70 | 0.0 | Apple / Blackberry | | Show Entry |
| Quercetin 3-O-xylosyl-glucuronide | PHUB000717 | 610.116999406 | C26H26O17 | Polyphenols | Flavonoids | Flavonols | | ![]() | DKHSNOLJPXJJMD-GQDNDFQBSA-N | | (2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl (2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate | 610.4744 | 5.45e+00 g/l | 0.33 | 0.0 | Blackberry | | Show Entry |
| Quercetin 3-O-xylosyl-rutinoside | PHUB000718 | 742.195643624 | C32H38O20 | Polyphenols | Flavonoids | Flavonols | | ![]() | RLTNQOUWXZXZCS-MGURYUNNSA-N | | 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-3-{[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 742.636 | 9.23e+00 g/l | -0.38 | 0.0 | | | Show Entry |
| Quercetin 7,4'-O-diglucoside | PHUB000719 | 626.148299534 | C27H30O17 | Polyphenols | Flavonoids | Flavonols | | ![]() | QZXHFNCQMMUANB-UINLEYECSA-N | | 3,5-dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 626.5169 | 3.23e+00 g/l | -0.81 | 0.0 | Onion | | Show Entry |
| Quercitrin | PHUB000720 | 448.100561464 | C21H20O11 | Polyphenols | Flavonoids | Flavonols | Quercetin 3-O-rhamnoside; Quercetrin; Quercitin | ![]() | OXGUCUVFOIWWQJ-VTYNJFMCSA-N | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one | 448.38 | 1.79e+00 g/l | 1.31 | 0.0 | American cranberry / Apple / Apple juice / Black tea / Lettuce / Olive, black | | Show Entry |
| Rhamnetin | PHUB000721 | 316.058302738 | C16H12O7 | Polyphenols | Flavonoids | Flavonols | 7-Methyl-quercetin | ![]() | JGUZGNYPMHHYRK-UHFFFAOYSA-N | | rhamnetin | 316.2623 | 1.50e-01 g/l | 1.97 | 0.0 | | | Show Entry |
| Rutin | PHUB000722 | 610.153384886 | C27H30O16 | Polyphenols | Flavonoids | Flavonols | Quercetin 3-O-rhamnosyl-glucoside; Quercetin 3-O-rutinoside | ![]() | IKGXIBQEEMLURG-GGFYDIPBSA-N | | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one | 610.521 | 3.54e+00 g/l | 0.15 | 0.0 | Apple juice / Apricot / Asparagus / Black tea / Blackberry / Cherry tomato / Green tea / Olive, black / Sweet cherry | 3',4'-Dihydroxyphenylacetic acid / Homovanillic acid / Quercetin / 3'-Hydroxyphenylacetic acid / 3-Hydroxyhippuric acid / 4-Hydroxyhippuric acid | Show Entry |
| Spinacetin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside | PHUB000723 | 978.26411711 | C44H50O25 | Polyphenols | Flavonoids | Flavonols | | ![]() | OWEXXLIDPNHERV-LXEZMJNLSA-N | | (2S,3S,4R,5R,6R)-2-{[(3R,4S,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy}-5-{[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 978.859 | 1.22e+00 g/l | 1.07 | 0.0 | Spinach | | Show Entry |
| Spinacetin 3-O-(2''-p-coumaroylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside | PHUB000724 | 948.253552426 | C43H48O24 | Polyphenols | Flavonoids | Flavonols | | ![]() | CRMQLXUPYMVANT-RXEOWQBESA-N | | (2S,3S,4R,5R,6R)-2-{[(3R,4R,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy}-5-{[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate | 948.833 | 1.25e+00 g/l | 1.03 | 0.0 | | | Show Entry |
| Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside | PHUB000725 | 802.216773028 | C34H42O22 | Polyphenols | Flavonoids | Flavonols | | ![]() | NVYWCFHFPXGDKS-UHFFFAOYSA-N | | 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one | 802.6841 | 7.33e+00 g/l | -0.67 | 0.0 | Spinach | | Show Entry |
| Spinacetin 3-O-glucosyl-(1->6)-glucoside | PHUB000726 | 670.174514284 | C29H34O18 | Polyphenols | Flavonoids | Flavonols | | ![]() | ZZNVCZGRNCQHCQ-UHFFFAOYSA-N | | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one | 670.5695 | 3.76e+00 g/l | -0.31 | 0.0 | | | Show Entry |
| Spiraeoside | PHUB000727 | 464.095476104 | C21H20O12 | Polyphenols | Flavonoids | Flavonols | Quercetin 4'-O-glucoside | ![]() | OIUBYZLTFSLSBY-HMGRVEAOSA-N | | spiraeoside | 464.3763 | 1.59e+00 g/l | 0.63 | 0.0 | | | Show Entry |
| Trifolin | PHUB000728 | 448.100561464 | C21H20O11 | Polyphenols | Flavonoids | Flavonols | Kaempferol 3-O-galactoside | ![]() | JPUKWEQWGBDDQB-MDYSSOIXSA-N | | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 448.38 | 1.58e+00 g/l | 0.52 | 0.0 | Black tea | | Show Entry |
| Quercetin 4'-O-glucoside | PHUB000729 | 464.095476104 | C21H20O12 | Polyphenols | Flavonoids | Flavonols | | ![]() | OIUBYZLTFSLSBY-HMGRVEAOSA-N | | spiraeoside | 464.3763 | 1.59e+00 g/l | 0.63 | 0.0 | Onion | Isorhamnetin / Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / Quercetin 3'-O-glucuronide / Tamarixetin / Quercetin diglucuronide / Quercetin glucose glucuronide / Quercetin glucuronide sulfate / Quercetin 3'-O-sulfate | Show Entry |
| Castalagin | PHUB000730 | 934.071230957 | C41H26O26 | Polyphenols | Ellagitannins | Not Available | | ![]() | UDYKDZHZAKSYCO-YREZVWEMSA-N | | (1S,2S,20S,42R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone | 934.633 | 5.79e+00 g/l | 2.74 | 0.0 | | | Show Entry |
| Castalin | PHUB000731 | 632.064963804 | C27H20O18 | Polyphenols | Ellagitannins | Not Available | | ![]() | PPUHUWSVCUJGTD-WGPLYWIGSA-N | | (1R,2R,24S,25S)-7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.1²,⁶.0⁵,¹⁰.0¹¹,²⁸.0¹⁶,²¹]nonacosa-5(10),6,8,11(28),12,14,16,18,20-nonaene-4,22,27-trione | 632.439 | 1.38e+01 g/l | 1.14 | 0.0 | | | Show Entry |
| Casuarictin | PHUB000732 | 936.086881068 | C41H28O26 | Polyphenols | Ellagitannins | Not Available | | ![]() | SWRFKGRMQVLMKA-UHFFFAOYSA-N | | 7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate | 936.6454 | 1.39e+00 g/l | 3.22 | 0.0 | Common walnut / Strawberry | | Show Entry |
| Casuarinin | PHUB000733 | 936.086881022 | C41H28O26 | Polyphenols | Ellagitannins | Not Available | | ![]() | MMQXBTULXAEKQE-YEMMZNTFSA-N | | (10S,11S)-10-[(14S,15R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1,3,5(18),6(11),7,9-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate | 936.649 | 2.18e+00 g/l | 2.89 | 0.0 | Common walnut | | Show Entry |
| Geraniin | PHUB000734 | 952.081795642 | C41H28O27 | Polyphenols | Ellagitannins | Not Available | | ![]() | JQQBXPCJFAKSPG-QWSQOOQLSA-N | | (1S,7S,8R,26S,28R,29S,38S)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]tetraconta-3,11(16),12,14,17(22),18,20,32,34,36-decaen-28-yl 3,4,5-trihydroxybenzoate | 952.648 | 5.66e+00 g/l | 2.36 | 0.0 | | | Show Entry |
| Lambertianin A | PHUB000735 | 1870.158112072 | C82H54O52 | Polyphenols | Ellagitannins | Not Available | | ![]() | FFZOOOCGCNFHAQ-UHFFFAOYSA-N | | 36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl 3,4,5-trihydroxybenzoate | 1871.275 | 3.21e+00 g/l | 4.03 | 0.0 | | | Show Entry |
| Lambertianin B | PHUB000736 | 1718.14715337 | C75H50O48 | Polyphenols | Ellagitannins | Not Available | | ![]() | MFFFFOUPJAFCQB-UHFFFAOYSA-N | | 36-({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate | 1719.177 | 6.62e+00 g/l | 3.80 | 0.0 | | | Show Entry |
| Lambertianin C | PHUB000737 | 2804.229342936 | C123H80O78 | Polyphenols | Ellagitannins | Not Available | | ![]() | KPIIQBZSYJKNLJ-UHFFFAOYSA-N | | 36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate | 2805.915 | 8.14e+00 g/l | 4.42 | 0.0 | Red raspberry | | Show Entry |
| Lambertianin D | PHUB000738 | 3738.30057408 | C164H106O104 | Polyphenols | Ellagitannins | Not Available | | ![]() | WZQCGDLPTFKQNG-UHFFFAOYSA-N | | 36-[5-({[36-(5-{[(36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl)oxy]carbonyl}-2,3-dihydroxyphenoxy)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate | 3740.534 | | | 0.0 | | | Show Entry |
| Pedunculagin | PHUB000739 | 782.096657857 | C35H26O21 | Polyphenols | Ellagitannins | Not Available | | ![]() | WZXIBMBWCQROBO-UHFFFAOYSA-N | | 7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-20-methyl-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaene-4,17,25,38-tetrone | 782.572 | 1.27e+00 g/l | 2.87 | 0.0 | Blackberry / Common walnut / Red raspberry | Ellagic acid | Show Entry |
| Potentillin | PHUB000740 | 936.086881068 | C41H28O26 | Polyphenols | Ellagitannins | Not Available | | ![]() | SWRFKGRMQVLMKA-UHFFFAOYSA-N | | 7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate | 936.6454 | 1.39e+00 g/l | 3.22 | 0.0 | Blackberry / Red raspberry | | Show Entry |
| Punicalin A | PHUB000743 | 782.060272388 | C34H22O22 | Polyphenols | Ellagitannins | Not Available | | ![]() | IQHIEHIKNWLKFB-UHFFFAOYSA-N | | 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0²,⁷.0¹⁰,¹⁵.0¹⁹,²⁴.0²⁵,³⁴.0²⁸,³³.0³²,³⁷]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone | 782.5253 | 4.32e+00 g/l | 2.09 | 0.0 | | | Show Entry |
| Punicalin B | PHUB000744 | 782.060272388 | C34H22O22 | Polyphenols | Ellagitannins | Not Available | | ![]() | IQHIEHIKNWLKFB-UHFFFAOYSA-N | | 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0²,⁷.0¹⁰,¹⁵.0¹⁹,²⁴.0²⁵,³⁴.0²⁸,³³.0³²,³⁷]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone | 782.5253 | 4.32e+00 g/l | 2.09 | 0.0 | | | Show Entry |
| Punigluconin | PHUB000745 | 818.081401717 | C34H26O24 | Polyphenols | Ellagitannins | Not Available | | ![]() | FVFQELUCRYTKBG-UHFFFAOYSA-N | | 3-[3,4,5,6,17,18,19-heptahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3-hydroxy-2-(3,4,5-trihydroxybenzoyloxy)propanoic acid | 818.558 | 1.62e+00 g/l | 2.60 | 0.0 | | | Show Entry |
| Sanguiin H-10 | PHUB000746 | 1568.151844904 | C68H48O44 | Polyphenols | Ellagitannins | Not Available | | ![]() | GMFLQAPBSLUKQB-UHFFFAOYSA-N | | 3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-13-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11(16),12,14,26(31),27,29,32(37),33,35-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate | 1569.0823 | 2.37e+00 g/l | 3.70 | 0.0 | Red raspberry | | Show Entry |
| Sanguiin H-2 | PHUB000747 | 1104.092754306 | C48H32O31 | Polyphenols | Ellagitannins | Not Available | | ![]() | VQIUUNUVZNWSSC-UHFFFAOYSA-N | | 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoic acid | 1104.7491 | 1.34e+00 g/l | 3.63 | 0.0 | | | Show Entry |
| Sanguiin H-6 | PHUB000748 | 1870.158112072 | C82H54O52 | Polyphenols | Ellagitannins | Not Available | | ![]() | FFZOOOCGCNFHAQ-UHFFFAOYSA-N | | 36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl 3,4,5-trihydroxybenzoate | 1871.275 | 3.21e+00 g/l | 4.03 | 0.0 | Blackberry / Red raspberry / Strawberry | Ellagic acid | Show Entry |
| Vescalagin | PHUB000749 | 934.071230957 | C41H26O26 | Polyphenols | Ellagitannins | Not Available | | ![]() | UDYKDZHZAKSYCO-YREZVWEMSA-N | | (1S,2S,20S,42R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone | 934.633 | 5.79e+00 g/l | 2.74 | 0.0 | | | Show Entry |
| Vescalin | PHUB000750 | 632.064963804 | C27H20O18 | Polyphenols | Ellagitannins | Not Available | | ![]() | PPUHUWSVCUJGTD-WGPLYWIGSA-N | | (1R,2R,24S,25S)-7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.1²,⁶.0⁵,¹⁰.0¹¹,²⁸.0¹⁶,²¹]nonacosa-5(10),6,8,11(28),12,14,16,18,20-nonaene-4,22,27-trione | 632.439 | 1.38e+01 g/l | 1.14 | 0.0 | | | Show Entry |
| E-Ajoene | PHUB000751 | 234.020678593 | C9H14OS3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | IXELFRRANAOWSF-FNORWQNLSA-N | | ajoene | 234.39 | 1.40e+00 g/l | 2.58 | 0.0 | Garlic | | Show Entry |
| Z-Ajoene | PHUB000752 | 234.02067714 | C9H14OS3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | IXELFRRANAOWSF-ALCCZGGFSA-N | | 3-{[(1Z)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene | 234.402 | 1.40e+00 g/l | 2.58 | 0.0 | Garlic | | Show Entry |
| Allicin | PHUB000753 | 162.017306322 | C6H10OS2 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | Diallyl thiosulfinate; S-Oxodiallyl disulfide | ![]() | JDLKFOPOAOFWQN-UHFFFAOYSA-N | | allicin | 162.273 | 6.13e+00 g/l | 1.16 | 0.0 | Garlic / Onion | | Show Entry |
| Alliin | PHUB000754 | 177.045963913 | C6H11NO3S | Miscellaneous phytochemicals | Thiosulfinates | Not Available | S-allyl-L-cysteine sulfoxide; S-allylcysteine sulfoxide | ![]() | XUHLIQGRKRUKPH-ITZCMCNPSA-N | | 3-(allylsulfinyl)alanin | 177.221 | 3.85e+01 g/l | -2.14 | 0.0 | Garlic | | Show Entry |
| Diallyl disulfide | PHUB000755 | 146.0223917 | C6H10S2 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | Allyl disulfide; DADS; Diallyl disulphide | ![]() | PFRGXCVKLLPLIP-UHFFFAOYSA-N | | garlicin | 146.274 | 1.05e-01 g/l | 2.74 | 0.0 | Garlic / Onion | | Show Entry |
| Diallyl sulfide | PHUB000756 | 114.05032101 | C6H10S | Miscellaneous phytochemicals | Thiosulfinates | Not Available | Allyl sulfide; DAS; Diallyl monosulphide; Thioallyl ether | ![]() | UBJVUCKUDDKUJF-UHFFFAOYSA-N | | oil garlic | 114.209 | 2.64e-01 g/l | 2.12 | 0.0 | Garlic | | Show Entry |
| Diallyl trisulfide | PHUB000757 | 177.99446239 | C6H10S3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | DATS; Diallyl trisulphide | ![]() | UBAXRAHSPKWNCX-UHFFFAOYSA-N | | diallyl trisulfide | 178.339 | 7.81e-02 g/l | 2.74 | 0.0 | Garlic / Onion | | Show Entry |
| Diallyl tetrasulfide | PHUB000758 | 209.96653308 | C6H10S4 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | DATTS; Diallyl tetrasulphide | ![]() | RMKCQUWJDRTEHE-UHFFFAOYSA-N | | bis(prop-2-en-1-yl)tetrasulfane | 210.404 | 6.61e-02 g/l | 2.60 | 0.0 | Garlic / Onion | | Show Entry |
| Dimethyl trisulfide | PHUB000759 | 125.963162262 | C2H6S3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | 2,3,4-Trithiapentane; Methyl trisulfide | ![]() | YWHLKYXPLRWGSE-UHFFFAOYSA-N | | dimethyl trisulfide | 126.264 | 2.20e+00 g/l | 1.26 | 0.0 | Garlic / Onion | | Show Entry |
| Dipropyl disulfide | PHUB000760 | 150.053691828 | C6H14S2 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | Propyl disulfide | ![]() | ALVPFGSHPUPROW-UHFFFAOYSA-N | | propyl disulfide | 150.305 | 1.45e-01 g/l | 3.57 | 0.0 | Garlic / Onion | | Show Entry |
| Methyl allyl disulfide | PHUB000761 | 120.006741636 | C4H8S2 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | XNZOTQPMYMCTBZ-UHFFFAOYSA-N | | allyl methyl disulfide | 120.236 | 6.62e-01 g/l | 1.82 | 0.0 | Onion | | Show Entry |
| Propane-1-thiol | PHUB000762 | 76.034670946 | C3H8S | Miscellaneous phytochemicals | Thiosulfinates | Not Available | 1-Mercaptopropane; Propyl mercaptan | ![]() | SUVIGLJNEAMWEG-UHFFFAOYSA-N | | propanethiol | 76.161 | 4.99e+00 g/l | 1.72 | 0.0 | Common bean / Common pea / Leek / Onion / Potato | | Show Entry |
| Propane-2-thiol | PHUB000763 | 76.034670946 | C3H8S | Miscellaneous phytochemicals | Thiosulfinates | Not Available | 2-Mercaptopropane; Isopropyl mercaptan | ![]() | KJRCEJOSASVSRA-UHFFFAOYSA-N | | 2-propanethiol | 76.161 | 4.54e+00 g/l | 1.69 | 0.0 | Potato | | Show Entry |
| Propanethial S-oxide | PHUB000764 | 90.013935504 | C3H6OS | Miscellaneous phytochemicals | Thiosulfinates | Not Available | Lachrymatory factor; Thiopropanal S-oxide | ![]() | BAZSXBOAXJLRNH-UHFFFAOYSA-N | | propanethial, S-oxide | 90.144 | 6.42e+01 g/l | -0.15 | 0.0 | Onion | | Show Entry |
| Diethyl trisulfide | PHUB000765 | 153.99446239 | C4H10S3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | OPMRTBDRQRSNDN-UHFFFAOYSA-N | | diethyltrisulfane | 154.317 | 4.64e-01 g/l | 2.45 | 0.0 | Garlic / Onion | | Show Entry |
| Diproyl trisulfide | PHUB000766 | 182.025762518 | C6H14S3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | GAZXPZNJTZIGBO-UHFFFAOYSA-N | | trisulfide, dipropyl | 182.37 | 1.55e-01 g/l | 3.37 | 0.0 | Garlic / Onion | | Show Entry |
| Dimethyl tetrasulfide | PHUB000767 | 157.935232952 | C2H6S4 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | NPNIZCVKXVRCHF-UHFFFAOYSA-N | | dimethyltetrasulfane | 158.329 | 8.89e-01 g/l | 1.04 | 0.0 | Garlic / Onion | | Show Entry |
| Diethyl tetrasulfide | PHUB000768 | 213.997833208 | C6H14S4 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | Dipropyl tetrasulfide | ![]() | GJKGKILUTIBVOI-UHFFFAOYSA-N | | dipropyltetrasulfane | 214.435 | 1.06e-01 g/l | 3.35 | 0.0 | Garlic / Onion | | Show Entry |
| E-10 devinylajoene | PHUB000769 | 208.005028528 | C7H12OS3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | AHJWMSQZOWKKJQ-SNAWJCMRSA-N | | (1E)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene | 208.35 | 5.19e+00 g/l | 1.74 | 0.0 | Garlic | | Show Entry |
| Z-10 devinylajoene | PHUB000770 | 208.005028528 | C7H12OS3 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | AHJWMSQZOWKKJQ-PLNGDYQASA-N | | (1Z)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene | 208.35 | 5.19e+00 g/l | 1.74 | 0.0 | Garlic | | Show Entry |
| Methyl allyl thiosulfinate | PHUB000771 | 136.001656258 | C4H8OS2 | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | BBZQGJLFMJHRSD-UHFFFAOYSA-N | | 3-(methanesulfinylsulfanyl)prop-1-ene | 136.236 | 2.40e+01 g/l | 0.50 | 0.0 | Garlic | | Show Entry |
| Isoalliin | PHUB000772 | 177.045964392 | C6H11NO3S | Miscellaneous phytochemicals | Thiosulfinates | Not Available | | ![]() | OKYHUOHBRKWCQJ-NSCUHMNNSA-N | | 2-amino-3-[(1E)-prop-1-ene-1-sulfinyl]propanoic acid | 177.22 | 1.96e+01 g/l | -1.82 | 0.0 | Onion | | Show Entry |
| Agmatine | PHUB000773 | 130.121846468 | C5H14N4 | N-containing compounds | Amines | Not Available | (4-Aminobutyl)guanidine; 1-Amino-4-guanidobutane | ![]() | QYPPJABKJHAVHS-UHFFFAOYSA-N | | agmatine | 130.1915 | 3.61e+00 g/l | -1.01 | 0.0 | Lentils / Radish, Japanese | | Show Entry |
| Cadaverine | PHUB000774 | 102.115698458 | C5H14N2 | N-containing compounds | Amines | Not Available | Animal coniine; Pentamethylenediamine; Pentane-1,5-diamine | ![]() | VHRGRCVQAFMJIZ-UHFFFAOYSA-N | | cadaverine | 102.1781 | 8.91e+01 g/l | -0.27 | 0.0 | Lentils / Mung bean / Radish, Japanese | | Show Entry |
| Dopamine | PHUB000775 | 153.078978601 | C8H11NO2 | N-containing compounds | Amines | Not Available | 3-Hydroxytyramine; 3,4-Dihydroxyphenethylamine; 4-(2-Aminoethyl)benzene-1,2-diol; 4-(2-Aminoethyl)pyrocatechol | ![]() | VYFYYTLLBUKUHU-UHFFFAOYSA-N | | dopamine | 153.1784 | 7.43e+00 g/l | -0.40 | 0.0 | Banana | Dopamine 3-O-sulfate / Dopamine 4-O-sulfate / 3-Methoxytyramine sulfate | Show Entry |
| Gramine | PHUB000776 | 174.115698458 | C11H14N2 | N-containing compounds | Amines | Not Available | 3-(Dimethylaminomethyl)indole; Donaxine; Doramine | ![]() | OCDGBSUVYYVKQZ-UHFFFAOYSA-N | | gramin | 174.2423 | 3.43e+00 g/l | 2.01 | 0.0 | | | Show Entry |
| Histamine | PHUB000777 | 111.079647303 | C5H9N3 | N-containing compounds | Amines | Not Available | 4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; Beta-Aminoethylglyoxaline; Ergamine | ![]() | NTYJJOPFIAHURM-UHFFFAOYSA-N | | histamine | 111.1451 | 1.69e+02 g/l | -0.69 | 0.0 | Sweet orange | | Show Entry |
| Hordenine | PHUB000778 | 165.115364107 | C10H15NO | N-containing compounds | Amines | Not Available | 4-(2-Dimethylamino)ethylphenol; N,N-Dimethyltyramine | ![]() | KUBCEEMXQZUPDQ-UHFFFAOYSA-N | | hordenine | 165.2322 | 2.97e+01 g/l | 1.76 | 0.0 | | | Show Entry |
| Noradrenaline (L-) | PHUB000779 | 169.073893223 | C8H11NO3 | N-containing compounds | Amines | Not Available | Norepinephrine (L-) | ![]() | SFLSHLFXELFNJZ-QMMMGPOBSA-N | | norepinephrine | 169.1778 | 1.25e+01 g/l | -1.40 | 0.0 | Banana | | Show Entry |
| Phenethylamine | PHUB000780 | 121.089149357 | C8H11N | N-containing compounds | Amines | Not Available | 1-Amino-2-phenylethane; Aminoethylbenzene (beta-); Benzeneethanamine; PEA | ![]() | BHHGXPLMPWCGHP-UHFFFAOYSA-N | | 2-phenylethylamine | 121.1796 | 2.19e+00 g/l | 1.41 | 0.0 | | | Show Entry |
| Putrescine | PHUB000781 | 88.100048394 | C4H12N2 | N-containing compounds | Amines | Not Available | Butane-1,4-diamine; Tetramethylenediamine | ![]() | KIDHWZJUCRJVML-UHFFFAOYSA-N | | putrescine | 88.1515 | 2.36e+02 g/l | -0.98 | 0.0 | Endive / Grapefruit / Lentils / Lettuce / Mung bean / pak-choi / Soy bean / Sweet orange | | Show Entry |
| Serotonin | PHUB000782 | 176.094963016 | C10H12N2O | N-containing compounds | Amines | Not Available | 5-HT; 5-Hydroxytryptamine; Serotonine | ![]() | QZAYGJVTTNCVMB-UHFFFAOYSA-N | | serotonin | 176.2151 | 2.50e+00 g/l | 0.56 | 0.0 | Banana / Cherry tomato / Chinese cabbage / Eggplant / Grape / Hot chili (Capsicum annuum, C. frutescens) / Kiwi / Peach / Pineapple / Spinach / Tomato | 5-Hydroxyindole acetic acid | Show Entry |
| Skatole | PHUB000783 | 131.073499293 | C9H9N | N-containing compounds | Amines | Not Available | 3-Methyl-1H-indole | ![]() | ZFRKQXVRDFCRJG-UHFFFAOYSA-N | | scatole | 131.1745 | 3.09e+00 g/l | 2.58 | 0.0 | | | Show Entry |
| Spermidine | PHUB000784 | 145.157897623 | C7H19N3 | N-containing compounds | Amines | Not Available | | ![]() | ATHGHQPFGPMSJY-UHFFFAOYSA-N | | spermidine | 145.2459 | 3.27e+01 g/l | -0.62 | 0.0 | Broccoli / Cauliflower / Celeriac / Lentils / Mung bean / pak-choi / Radish, Japanese / Soy bean / Sweet orange | | Show Entry |
| Spermine | PHUB000785 | 202.215746852 | C10H26N4 | N-containing compounds | Amines | Not Available | Gerontine; Musculamine; Neuridine | ![]() | PFNFFQXMRSDOHW-UHFFFAOYSA-N | | spermine | 202.3402 | 2.19e+00 g/l | -0.66 | 0.0 | Lentils / Radish, Japanese | | Show Entry |
| Trimethylamine | PHUB000786 | 59.073499293 | C3H9N | N-containing compounds | Amines | Not Available | N,N-Dimethylmethanamine | ![]() | GETQZCLCWQTVFV-UHFFFAOYSA-N | | trimethylamine | 59.1103 | 6.54e+02 g/l | -0.14 | 0.0 | | | Show Entry |
| Tryptamine | PHUB000787 | 160.100048394 | C10H12N2 | N-containing compounds | Amines | Not Available | 3-(2-Aminoethyl)indole | ![]() | APJYDQYYACXCRM-UHFFFAOYSA-N | | tryptamine | 160.2157 | 1.34e+00 g/l | 1.21 | 0.0 | Cherry tomato / Chinese cabbage / Hot chili (Capsicum annuum, C. frutescens) / Kiwi / Kohlrabi / Lettuce / Strawberry / Swede (Rutabaga) / Tomato | | Show Entry |
| Tyramine | PHUB000788 | 137.084063979 | C8H11NO | N-containing compounds | Amines | Not Available | 4-Hydroxyphenethylamine; Tyrosamine | ![]() | DZGWFCGJZKJUFP-UHFFFAOYSA-N | | tyramine | 137.179 | 5.72e+00 g/l | -0.14 | 0.0 | Cherry tomato / Chinese cabbage / Hot chili (Capsicum annuum, C. frutescens) / Paprika / Spinach / Strawberry | | Show Entry |
| Caffeine | PHUB000789 | 194.080375584 | C8H10N4O2 | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | 1,3,7-trimethylxanthine; 3-Methyltheobromine; Coffeine; Guaranine; Thein; Theine | ![]() | RYYVLZVUVIJVGH-UHFFFAOYSA-N | 58-08-2 | caffeine | 194.1906 | 1.10e+01 g/l | -0.24 | 0.0 | Arabica coffee / Black tea / Blackcurrant / Chocolate / Cocoa bean / Coffee / Green tea / Guarana / Mate / Roasted coffee / Tea | | Show Entry |
| Theobromine | PHUB000790 | 180.06472552 | C7H8N4O2 | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | 3,7-Dimethylxanthine | ![]() | YAPQBXQYLJRXSA-UHFFFAOYSA-N | 83-67-0 | theobromine | 180.164 | 9.74e+00 g/l | -0.46 | 0.0 | Arabica coffee / Cocoa bean / Guarana / Mate / Roasted coffee / Tea | | Show Entry |
| Theophylline | PHUB000791 | 180.06472552 | C7H8N4O2 | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | 1,3-Dimethylxanthine; Theocin | ![]() | ZFXYFBGIUFBOJW-UHFFFAOYSA-N | 58-55-9 | theophylline | 180.164 | 2.29e+01 g/l | -0.26 | 0.0 | Cocoa bean / Guarana / Roasted coffee / Tea | | Show Entry |
| Vicine | PHUB000792 | 304.101898871 | C10H16N4O7 | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | Divicine-beta-glucoside | ![]() | KGNGTSCIQCLKEH-SYCVNHKBSA-N | 152-93-2 | 2,6-diamino-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-pyrimidin-4-one | 304.259 | 3.80e+01 g/l | -2.31 | 0.0 | Bitter Gourd / Broad bean | | Show Entry |
| Convicine | PHUB000793 | 305.085914471 | C10H15N3O8 | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | covicine | ![]() | JJWYIMQKLTVAGZ-SYCVNHKBSA-N | 19286-37-4 | 6-amino-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3-dihydropyrimidine-2,4-dione | 305.2414 | 5.10e+01 g/l | -2.00 | 0.0 | Broad bean | | Show Entry |
| Zeatin (trans-) | PHUB000794 | 219.112010063 | C10H13N5O | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | | ![]() | UZKQTCBAMSWPJD-FARCUNLSSA-N | | zeatin | 219.2431 | 2.75e-01 g/l | 0.46 | 0.0 | | | Show Entry |
| Dihydrozeatin | PHUB000795 | 221.127660127 | C10H15N5O | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | | ![]() | XXFACTAYGKKOQB-SSDOTTSWSA-N | | (2R)-2-methyl-4-(3H-purin-6-ylamino)butan-1-ol | 221.259 | 4.55e-01 g/l | -0.36 | 0.0 | | | Show Entry |
| 4-Hydroxyglucobrassicin | PHUB000796 | 463.048660748 | C16H19N2O10S2 | N-containing compounds | Glucosinolates | Not Available | 4-Hydroxyindol-3-ylmethyl glucosinolate | ![]() | CSMYCLLHRFFFLG-DVRVZQTCSA-M | | (E)-[2-(4-hydroxy-1H-indol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate | 463.45 | 4.05e+00 g/l | -0.16 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Cauliflower / Kale / Mustard / Turnip / Watercress | | Show Entry |
| 4-Methoxyglucobrassicin | PHUB000797 | 477.064310812 | C17H21N2O10S2 | N-containing compounds | Glucosinolates | Not Available | 4-Methoxyindol-3-ylmethyl glucosinolate | ![]() | IIAGSABLXRZUSE-CIHSNIMRSA-M | | (E)-[2-(4-methoxy-1H-indol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate | 477.48 | 2.14e+00 g/l | -0.09 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Cauliflower / Kale / pak-choi / Swede (Rutabaga) / Turnip / Watercress | | Show Entry |
| Glucoalyssin | PHUB000798 | 450.056783079 | C13H24NO10S3 | N-containing compounds | Glucosinolates | Not Available | 5-(Methylsulfinyl)pentylglucosinolate | ![]() | HUCGRJSHMZWRQQ-GCBKASSNSA-M | | (3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-6-methanesulfinyl-1-[(sulfonatooxy)imino]hexyl]sulfanyl}oxane-3,4,5-triol | 450.51 | 1.62e+01 g/l | -0.70 | 0.0 | Broccoli / Capers / pak-choi / Swede (Rutabaga) / Turnip | | Show Entry |
| Glucoberteroin | PHUB000799 | 434.061868459 | C13H24NO9S3 | N-containing compounds | Glucosinolates | Not Available | 5-(Methylthio)pentylglucosinolate; 5-Methylthiopentyl glucosinolate | ![]() | MEFPHTVXBPLRLX-VKSHFHBOSA-M | | (E)-[6-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino sulfate | 434.51 | 3.06e+00 g/l | -0.09 | 0.0 | Horseradish / Radish | | Show Entry |
| Glucobrassicanapin | PHUB000800 | 386.058497156 | C12H20NO9S2 | N-containing compounds | Glucosinolates | Not Available | 4-Pentenylglucosinolate; Pent-4-enyl glucosinolate | ![]() | XMJFVIGTHMOGNZ-PDUPTSSGSA-M | | (E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino sulfate | 386.41 | 9.81e+00 g/l | -0.52 | 0.0 | Capers / Horseradish / Mustard / pak-choi / Swede (Rutabaga) / Turnip / Wasabi | | Show Entry |
| Glucobrassicin | PHUB000801 | 447.053746128 | C16H19N2O9S2 | N-containing compounds | Glucosinolates | Not Available | 3-Indolylmethyl glucosinolate; Indol-3-ylmethyl glucosinolate | ![]() | DNDNWOWHUWNBCK-OTPKYRHWSA-M | | (E)-[2-(1H-indol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate | 447.45 | 2.51e+00 g/l | -0.15 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Cauliflower / Kale / Mustard / Radish / Swede (Rutabaga) / Turnip | | Show Entry |
| Glucocapparin | PHUB000802 | 332.011546963 | C8H14NO9S2 | N-containing compounds | Glucosinolates | Not Available | Methylglucosinolate | ![]() | UBTOEGCOMHAXGV-KADDAKOPSA-M | | (E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino sulfate | 332.32 | 6.03e+01 g/l | -1.20 | 0.0 | Capers / Horseradish / Wasabi | | Show Entry |
| Glucocheirolin | PHUB000803 | 438.02039757 | C11H20NO11S3 | N-containing compounds | Glucosinolates | Not Available | 3-(Methylsulfonyl)propylglucosinolate; 3-Methylsulfonylpropyl glucosinolate | ![]() | OFKKQTQFWWIRBD-JRIQBWFLSA-M | | (3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-4-methanesulfonyl-1-[(sulfonatooxy)imino]butyl]sulfanyl}oxane-3,4,5-triol | 438.46 | 1.16e+01 g/l | -1.18 | 0.0 | | | Show Entry |
| Glucocochlearin | PHUB000804 | 374.058497156 | C11H20NO9S2 | N-containing compounds | Glucosinolates | Not Available | (1S)-1-Methylpropylglucosinolate; Glucojiabutin | ![]() | TUSWQPFNQXCPGB-YKNISDCUSA-M | | (E)-[(2S)-2-methyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino sulfate | 374.4 | 1.85e+01 g/l | -0.51 | 0.0 | | | Show Entry |
| Glucoerucin | PHUB000805 | 420.046218394 | C12H22NO9S3 | N-containing compounds | Glucosinolates | Not Available | 4-(Methylthio)butylglucosinolate; 4-Methylthiobutyl glucosinolate | ![]() | GKUMMDFLKGFCKH-PDUPTSSGSA-M | | (E)-[5-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]amino sulfate | 420.49 | 5.50e+00 g/l | -0.45 | 0.0 | Radish / Rocket salad / Swede (Rutabaga) | | Show Entry |
| Glucoerysolin | PHUB000806 | 452.036047634 | C12H22NO11S3 | N-containing compounds | Glucosinolates | Not Available | 4-(Methylsulfonyl)butylglucosinolate; 4-Methylsulfonylbutyl glucosinolate | ![]() | WJMGSLJQEIYHOF-PDUPTSSGSA-M | | (3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfonyl-1-[(sulfonatooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol | 452.48 | 8.95e+00 g/l | -1.02 | 0.0 | | | Show Entry |
| Glucoiberin | PHUB000807 | 422.02548295 | C11H20NO10S3 | N-containing compounds | Glucosinolates | Not Available | 3-(Methylsulfinyl)propylglucosinolate; 3-Methylsulfinylpropyl glucosinolate | ![]() | PHYYADMVYQURSX-VKXZSDEGSA-M | 554-88-1 | (3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-4-methanesulfinyl-1-[(sulfonatooxy)imino]butyl]sulfanyl}oxane-3,4,5-triol | 422.46 | 3.92e+01 g/l | -1.18 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Cauliflower / Common cabbage / Kale / Kohlrabi / Savoy cabbage / Turnip | | Show Entry |
| Glucoiberverin | PHUB000808 | 406.03056833 | C11H20NO9S3 | N-containing compounds | Glucosinolates | Not Available | 3-(Methylthio)propylglucosinolate; 3-Methylthiopropyl glucosinolate | ![]() | ZCZCVJVUJGULMO-JRIQBWFLSA-M | | (E)-[4-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino sulfate | 406.46 | 9.83e+00 g/l | -0.67 | 0.0 | Cabbage, White / Cauliflower / Horseradish / Kale / Kohlrabi / Radish / Turnip | | Show Entry |
| Glucolepidiin | PHUB000809 | 346.027197027 | C9H16NO9S2 | N-containing compounds | Glucosinolates | Not Available | Ethylglucosinolate | ![]() | ZPFWVYNZDHOONR-LDMAVRNSSA-M | | (E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino sulfate | 346.35 | 4.05e+01 g/l | -0.96 | 0.0 | | | Show Entry |
| Gluconapin | PHUB000810 | 372.042847092 | C11H18NO9S2 | N-containing compounds | Glucosinolates | Not Available | 3-butenyl glucosinolate; But-3-enyl glucosinolate | ![]() | PLYQBXHVYUJNQB-JRIQBWFLSA-M | | (E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene)amino sulfate | 372.38 | 1.56e+01 g/l | -0.76 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Horseradish / Mustard / pak-choi / Swede (Rutabaga) / Turnip / Wasabi | | Show Entry |
| Gluconapoleiferin | PHUB000811 | 402.053411776 | C12H20NO10S2 | N-containing compounds | Glucosinolates | Not Available | 2-Hydroxypent-4-enyl glucosinolate; 2-Hydroxypent-4-enylglucosinolate | ![]() | ZEGLQSKFSKZGRO-GAQZTCCMSA-M | 19764-03-5 | (2S,4S,5S)-2-{[(1E,3S)-3-hydroxy-1-[(sulfonatooxy)imino]hex-5-en-1-yl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol | 402.41 | 2.45e+01 g/l | -1.08 | 0.0 | Broccoli / Capers / Kale / pak-choi / Rocket salad / Swede (Rutabaga) / Turnip | | Show Entry |
| Gluconasturtiin | PHUB000812 | 422.058497156 | C15H20NO9S2 | N-containing compounds | Glucosinolates | Not Available | 2-Phenylethyl glucosinolate | ![]() | CKIJIGYDFNXSET-ZANVAWHUSA-M | 499-30-9 | (E)-(3-phenyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino sulfate | 422.44 | 4.61e+00 g/l | -0.01 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Cauliflower / Garden cress / Horseradish / Kale / Mustard / pak-choi / Radish / Radish, Japanese / Swede (Rutabaga) / Turnip / Watercress | | Show Entry |
| Glucoputranjivin | PHUB000813 | 360.042847092 | C10H18NO9S2 | N-containing compounds | Glucosinolates | Not Available | Isopropylglucosinolate | ![]() | WGIQZGDVCQDPTG-DTDAJARQSA-M | | (E)-(2-methyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino sulfate | 360.37 | 2.65e+01 g/l | -0.83 | 0.0 | Horseradish / Wasabi | | Show Entry |
| Glucoraphanin | PHUB000814 | 436.041133014 | C12H22NO10S3 | N-containing compounds | Glucosinolates | Not Available | 4-(Methylsulfinyl)butylglucosinolate; 4-Methylsulfinylbutyl glucosinolate | ![]() | GMMLNKINDDUDCF-HTTMVCNMSA-M | | (3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfinyl-1-[(sulfonatooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol | 436.49 | 2.47e+01 g/l | -0.98 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cauliflower / Rocket salad / Swede (Rutabaga) | | Show Entry |
| Glucoraphenin | PHUB000815 | 434.02548295 | C12H20NO10S3 | N-containing compounds | Glucosinolates | Not Available | 4-(Methylsulfinyl)but-3-enylglucosinolate; 4-Methylsulfinyl-3-butenyl glucosinolate; 4-Methylsulfinylbut-3-enyl glucosinolate | ![]() | ZFLXCZJBYSPSKU-SVMBXWEMSA-M | | (3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E,4E)-5-methanesulfinyl-1-[(sulfonatooxy)imino]pent-4-en-1-yl]sulfanyl}oxane-3,4,5-triol | 434.47 | 2.21e+01 g/l | -0.89 | 0.0 | Cabbage, red / Radish | | Show Entry |
| Glucotropaeolin | PHUB000816 | 408.042847092 | C14H18NO9S2 | N-containing compounds | Glucosinolates | Not Available | Benzylglucosinolate | ![]() | QQGLQYQXUKHWPX-PUZZJGJESA-M | | (E)-(2-phenyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino sulfate | 408.42 | 6.49e+00 g/l | -0.27 | 0.0 | Garden cress / Horseradish / Radish | | Show Entry |
| Neoglucobrassicin | PHUB000817 | 477.064310812 | C17H21N2O10S2 | N-containing compounds | Glucosinolates | Not Available | 1-Methoxy-3-indolylmethylglucosinolate; 1-methoxyindol-3-ylmethyl glucosinolate | ![]() | PKKMITFKYRCCOL-ABORFPJUSA-M | | (E)-[2-(1-methoxyindol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate | 477.48 | 2.85e+00 g/l | 0.26 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Cauliflower / Kale / pak-choi / Savoy cabbage / Swede (Rutabaga) / Turnip | | Show Entry |
| Progoitrin | PHUB000818 | 388.037761712 | C11H18NO10S2 | N-containing compounds | Glucosinolates | Not Available | 2-Hydroxy-3-butenyl glucosinolate; 2-Hydroxybut-3-enyl glucosinolate; Glucorapiferin | ![]() | MYHSVHWQEVDFQT-ZCXQZIKDSA-M | 585-95-5 | (2S,4S,5S)-2-{[(1E,3R)-3-hydroxy-1-[(sulfonatooxy)imino]pent-4-en-1-yl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol | 388.38 | 3.32e+01 g/l | -1.28 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Cauliflower / Common cabbage / Kale / Kohlrabi / Mustard / pak-choi / Savoy cabbage / Swede (Rutabaga) / Turnip | | Show Entry |
| Sinalbin | PHUB000819 | 424.037761712 | C14H18NO10S2 | N-containing compounds | Glucosinolates | Not Available | Glucosinalbin; p-Hydroxybenzylglucosinolate | ![]() | WWBNBPSEKLOHJU-PUZZJGJESA-M | | (E)-[2-(4-hydroxyphenyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate | 424.42 | 8.90e+00 g/l | -0.39 | 0.0 | Mustard / Radish / Watercress | | Show Entry |
| Sinigrin | PHUB000820 | 358.027197027 | C10H16NO9S2 | N-containing compounds | Glucosinolates | Not Available | 2-Propenyl glucosinolate; Allylglucosinolate; Prop-2-enylglucosinolate | ![]() | PHZOWSSBXJXFOR-IUSWXCLFSA-M | | (E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino sulfate | 358.36 | 2.46e+01 g/l | -0.88 | 0.0 | Broccoli / Brussel sprouts / Cabbage, red / Cabbage, White / Capers / Cauliflower / Common cabbage / Horseradish / Kale / Mustard / Savoy cabbage / Wasabi | | Show Entry |
| Sulforaphane | PHUB000821 | 177.028205359 | C6H11NOS2 | N-containing compounds | Isothiocyanates | Not Available | 4-isothiocyanatobutyl methyl sulfoxide; 4-Methylsulfinyl butyl isothiocyanate | ![]() | SUVMJBTUFCVSAD-UHFFFAOYSA-N | 4478-93-7 | sulforaphane | 177.288 | 2.55e+00 g/l | 1.24 | 0.0 | | | Show Entry |
| Allyl isothiocyanate | PHUB000822 | 99.014269855 | C4H5NS | N-containing compounds | Isothiocyanates | Not Available | 2-Propenyl isothiocyanate; AITC | ![]() | ZOJBYZNEUISWFT-UHFFFAOYSA-N | 57-06-7 | allyl isothiocyanate | 99.154 | 3.21e-01 g/l | 1.90 | 0.0 | Horseradish / Mustard | | Show Entry |
| Benzyl isothiocyanate | PHUB000823 | 149.029919919 | C8H7NS | N-containing compounds | Isothiocyanates | Not Available | | ![]() | MDKCFLQDBWCQCV-UHFFFAOYSA-N | | benzyl isothiocyanate | 149.213 | 5.66e-02 g/l | 3.22 | 0.0 | Garden cress | | Show Entry |
| Phenethyl isothiocyanate | PHUB000824 | 163.045569983 | C9H9NS | N-containing compounds | Isothiocyanates | Not Available | PEITC; Phenylethyl isothiocyanate | ![]() | IZJDOKYDEWTZSO-UHFFFAOYSA-N | 2257-09-2 | phenethyl isothiocyanate | 163.239 | 2.77e-02 g/l | 3.41 | 0.0 | Horseradish / Turnip / Watercress | | Show Entry |
| Albine | PHUB000825 | 232.157563272 | C14H20N2O | N-containing compounds | Alkaloids | Miscellaneous alkaloids | Dehydroalbine | ![]() | QJVOZXGJOGJKPT-FMKGYKFTSA-N | 53915-26-7 | (1R,2R,9R,12R)-12-(prop-2-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one | 232.327 | 2.74e+00 g/l | 0.39 | 0.0 | White lupin beans | | Show Entry |
| Calystegin A3 | PHUB000826 | 159.089543283 | C7H13NO3 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | | ![]() | XOCBOVUINUHZJA-RKXXOXFUSA-N | | calystegine A3 | 159.185 | 6.60e+02 g/l | -1.19 | 0.0 | | | Show Entry |
| Calystegin B2 | PHUB000827 | 175.084457909 | C7H13NO4 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | | ![]() | FXFBVZOJVHCEDO-NSULPUJOSA-N | | (1R,2R,3R,4S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol | 175.1824 | 7.33e+02 g/l | -1.81 | 0.0 | | | Show Entry |
| Gentianine | PHUB000828 | 175.063328537 | C10H9NO2 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | | ![]() | DFNZYFAJQPLJFI-UHFFFAOYSA-N | | gentianine | 175.184 | 1.94e+01 g/l | 1.01 | 0.0 | | | Show Entry |
| Harman | PHUB000829 | 182.08439833 | C12H10N2 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | 1-Methyl-beta-carboline; Aribine; Loturine; Passiflorine | ![]() | PSFDQSOCUJVVGF-UHFFFAOYSA-N | | harmane | 182.2212 | 9.67e-02 g/l | 3.36 | 0.0 | | | Show Entry |
| Harmine | PHUB000830 | 212.094963016 | C13H12N2O | N-containing compounds | Alkaloids | Miscellaneous alkaloids | Banisterine; Leucoharmine; Telepathine; Yageine | ![]() | BXNJHAXVSOCGBA-UHFFFAOYSA-N | | harmine | 212.2472 | 6.13e-02 g/l | 3.05 | 0.0 | | | Show Entry |
| Hyoscyamine | PHUB000831 | 289.167793607 | C17H23NO3 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | Daturine; Duboisine | ![]() | RKUNBYITZUJHSG-LGGPCSOHSA-N | | levbid | 289.3694 | 2.52e+00 g/l | 2.19 | 0.0 | | | Show Entry |
| Perlolyrine | PHUB000832 | 264.089877638 | C16H12N2O2 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | | ![]() | KFUCYPGCMLPUMT-UHFFFAOYSA-N | | perlolyrine | 264.2787 | 8.92e-02 g/l | 2.66 | 0.0 | | | Show Entry |
| Physoperuvine | PHUB000833 | 141.115364107 | C8H15NO | N-containing compounds | Alkaloids | Miscellaneous alkaloids | 1-Hydroxytropane | ![]() | BKWVNPXVPQOROM-UHFFFAOYSA-N | | physoperuvine | 141.214 | 3.81e+02 g/l | 0.68 | 0.0 | | | Show Entry |
| Salsolinol ((-)-) | PHUB000834 | 179.094628665 | C10H13NO2 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | | ![]() | IBRKLUSXDYATLG-LURJTMIESA-N | | salsolinol | 179.2157 | 6.71e+00 g/l | 0.16 | 0.0 | Banana | Salsolinol-sulfate | Show Entry |
| Scopolamine | PHUB000835 | 303.14705816 | C17H21NO4 | N-containing compounds | Alkaloids | Miscellaneous alkaloids | 6,7-Epoxytropine tropate; Hyoscine; Scopine tropate | ![]() | STECJAGHUSJQJN-PMFPHFEJSA-N | | 9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate | 303.358 | 6.61e+00 g/l | 1.40 | 0.0 | | | Show Entry |
| Arecaidine | PHUB000836 | 141.078978601 | C7H11NO2 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | Arecaine | ![]() | DNJFTXKSFAMXQF-UHFFFAOYSA-N | | arecaidine | 141.1677 | 5.10e+02 g/l | -1.43 | 0.0 | | | Show Entry |
| Arecoline | PHUB000837 | 155.094628665 | C8H13NO2 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | | ![]() | HJJPJSXJAXAIPN-UHFFFAOYSA-N | | arecoline | 155.1943 | 4.46e+02 g/l | 0.55 | 0.0 | | | Show Entry |
| Carpaine | PHUB000838 | 478.377058098 | C28H50N2O4 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | | ![]() | AMSCMASJCYVAIF-QCVMBYIASA-N | | carpaine | 478.718 | 8.18e-04 g/l | 4.48 | 0.0 | | | Show Entry |
| Cucurbitine | PHUB000839 | 130.07422757 | C5H10N2O2 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | 3-Amino-beta-proline | ![]() | DWAKXSZUASEUHH-RXMQYKEDSA-N | | (+-)-cucurbitine | 130.147 | 2.62e+02 g/l | -3.19 | 0.0 | | | Show Entry |
| Fagomine | PHUB000840 | 147.089543283 | C6H13NO3 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | 3,4-Dihydroxy-2-piperidine-methanol | ![]() | YZNNBIPIQWYLDM-HSUXUTPPSA-N | | fagomine | 147.174 | 5.73e+02 g/l | -1.55 | 0.0 | | | Show Entry |
| Guvacine | PHUB000841 | 127.063328537 | C6H9NO2 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | | ![]() | QTDZOWFRBNTPQR-UHFFFAOYSA-N | | guvacine | 127.1412 | 3.08e+01 g/l | -2.24 | 0.0 | | | Show Entry |
| Pelletierine ((-)-) | PHUB000842 | 141.115364107 | C8H15NO | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | Isopelletierine | ![]() | JEIZLWNUBXHADF-MRVPVSSYSA-N | | 1-[(2R)-piperidin-2-yl]propan-2-one | 141.2108 | 1.90e+01 g/l | 0.68 | 0.0 | | | Show Entry |
| Piperine | PHUB000843 | 285.136493479 | C17H19NO3 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | 1-Piperinoylpiperidine | ![]() | MXXWOMGUGJBKIW-YPCIICBESA-N | | bioperine | 285.3377 | 1.49e-01 g/l | 3.38 | 0.0 | Pepper | | Show Entry |
| Proline betaine | PHUB000844 | 143.094628665 | C7H13NO2 | N-containing compounds | Amino acids | Not Available | Cadabine; Stachydrine | ![]() | CMUNUTVVOOHQPW-LURJTMIESA-N | | stachydrine | 143.1836 | 6.66e-01 g/l | -2.24 | 0.0 | Crosne / Grapefruit / Lemon / Lime / Mandarin orange (Clementine, Tangerine) / Orange juice / Sweet orange | | Show Entry |
| Trichostachine | PHUB000845 | 271.120843415 | C16H17NO3 | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | Piperyline; Pyrroperine | ![]() | GQIJYUMTOUBHSH-IJIVKGSJSA-N | | trichostachine | 271.3111 | 4.35e-01 g/l | 3.01 | 0.0 | | | Show Entry |
| Chaconine (alpha-) | PHUB000846 | 851.503106049 | C45H73NO14 | N-containing compounds | Alkaloids | Steroid alkaloids | | ![]() | TYNQWWGVEGFKRU-AJDPQWBVSA-N | | α-chaconine | 852.0594 | 2.90e-01 g/l | 1.87 | 0.0 | | | Show Entry |
| Dehydrotomatine | PHUB000847 | 1031.530108632 | C50H81NO21 | N-containing compounds | Alkaloids | Steroid alkaloids | Tomatidenol 3-lycotetraoside | ![]() | BYMOGFTUZUEFHY-IMSFCOTOSA-N | | | 1032.184 | 1.82e+00 g/l | -0.09 | 0.0 | Cherry tomato / Green tomato / Tomato | | Show Entry |
| Demissidine | PHUB000848 | 399.350115073 | C27H45NO | N-containing compounds | Alkaloids | Steroid alkaloids | | ![]() | JALVTHFTYRPDMB-HRRTYWNUSA-N | | demissidine | 399.663 | 2.21e-04 g/l | 5.02 | 0.0 | | | Show Entry |
| Demissine | PHUB000849 | 1017.550844077 | C50H83NO20 | N-containing compounds | Alkaloids | Steroid alkaloids | beta-Demissidine glycoside | ![]() | KWRYHKRVKRBBBU-RDQTZTQHSA-N | | demissine | 1018.201 | 1.63e+00 g/l | 0.24 | 0.0 | | | Show Entry |
| Solamargine | PHUB000850 | 867.498020671 | C45H73NO15 | N-containing compounds | Alkaloids | Steroid alkaloids | | ![]() | MBWUSSKCCUMJHO-ZGXDEBHDSA-N | | solamargine | 868.0588 | 1.98e-01 g/l | 1.52 | 0.0 | Eggplant | | Show Entry |
| Solanidine | PHUB000851 | 397.334465003 | C27H43NO | N-containing compounds | Alkaloids | Steroid alkaloids | Purapuridine; Solamidine T; Solancarpidine; solanid-5-en-3beta-ol; Solatubine | ![]() | JVKYZPBMZPJNAJ-OQFNDJACSA-N | | solanidine | 397.6364 | 3.96e-04 g/l | 4.93 | 0.0 | Potato | | Show Entry |
| Solanine (alpha-) | PHUB000852 | 867.498020671 | C45H73NO15 | N-containing compounds | Alkaloids | Steroid alkaloids | Solatunine | ![]() | ZGVSETXHNHBTRK-WWELWOLRSA-N | 20562-02-1 | solanine | 868.0588 | 6.19e-01 g/l | 1.29 | 0.0 | Eggplant / Potato | | Show Entry |
| Solasodine | PHUB000853 | 413.329379629 | C27H43NO2 | N-containing compounds | Alkaloids | Steroid alkaloids | Purpapuridine; Solancarpidine; Solasodine-S | ![]() | KWVISVAMQJWJSZ-VKROHFNGSA-N | | solasodine | 413.646 | 8.38e-04 g/l | 4.45 | 0.0 | Eggplant | | Show Entry |
| Solasonine | PHUB000854 | 883.492935275 | C45H73NO16 | N-containing compounds | Alkaloids | Steroid alkaloids | Purapurine; Solanine-S; Solasodamine | ![]() | QCTMYNGDIBTNSK-XEAAVONHSA-N | | solasonine | 884.07 | 4.10e-01 g/l | 0.90 | 0.0 | Eggplant | | Show Entry |
| Tomatidine | PHUB000855 | 415.345029693 | C27H45NO2 | N-containing compounds | Alkaloids | Steroid alkaloids | 5alpha-tomatidan-3beta-ol | ![]() | XYNPYHXGMWJBLV-VXPJTDKGSA-N | | tomatidine | 415.662 | 1.89e-04 g/l | 4.72 | 0.0 | | Tomatidine O-glucuronide | Show Entry |
| Tomatine | PHUB000856 | 1033.545758723 | C50H83NO21 | N-containing compounds | Alkaloids | Steroid alkaloids | A''-Tomatidine; Lycopericin; Lycopersicin; Tomatine (alpha-) | ![]() | REJLGAUYTKNVJM-SGXCCWNXSA-N | 17406-45-0 | tomatin | 1034.1881 | 1.71e+00 g/l | -0.14 | 0.0 | Cherry tomato / Green tomato / Ketchup / Tomato / Tomato juice | Tomatidine | Show Entry |
| 6-Hydroxyluteolin | PHUB000857 | 302.042652674 | C15H10O7 | Polyphenols | Flavonoids | Flavones | 5,6,7,3',4'-Pentahydroxyflavone | ![]() | VYAKIUWQLHRZGK-UHFFFAOYSA-N | | 6-hydroxyluteolin | 302.2357 | 1.90e-01 g/l | 2.36 | 0.0 | | | Show Entry |
| 6-Hydroxyluteolin 7-O-rhamnoside | PHUB000858 | 448.100561482 | C21H20O11 | Polyphenols | Flavonoids | Flavones | | ![]() | WBSLGYBCKVSSQR-UHFFFAOYSA-N | | 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one | 448.3769 | 1.41e+00 g/l | 1.32 | 0.0 | | | Show Entry |
| 7,3',4'-Trihydroxyflavone | PHUB000859 | 270.05282343 | C15H10O5 | Polyphenols | Flavonoids | Flavones | | ![]() | PVFGJHYLIHMCQD-UHFFFAOYSA-N | | 2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one | 270.2369 | 1.04e-01 g/l | 3.07 | 0.0 | | | Show Entry |
| 7,4'-Dihydroxyflavone | PHUB000860 | 254.057908808 | C15H10O4 | Polyphenols | Flavonoids | Flavones | | ![]() | LCAWNFIFMLXZPQ-UHFFFAOYSA-N | | 7,4'-dihydroxyflavone | 254.2375 | 8.29e-02 g/l | 3.34 | 0.0 | | | Show Entry |
| Apigenin | PHUB000861 | 270.05282343 | C15H10O5 | Polyphenols | Flavonoids | Flavones | 5,7,4'-Trihydroxyflavone | ![]() | KZNIFHPLKGYRTM-UHFFFAOYSA-N | | chamomile | 270.2369 | 1.18e-01 g/l | 3.07 | 0.0 | Celery leaves / Celery stalks / Chamomile tea / Common oregano / Globe artichoke / Parsley | | Show Entry |
| Apigenin 7,4'-dimethyl ether | PHUB000862 | 298.084123558 | C17H14O5 | Polyphenols | Flavonoids | Flavones | | ![]() | LZERJKGWTQYMBB-UHFFFAOYSA-N | | apigenin 7,4'-dimethyl ether | 298.2901 | 3.16e-02 g/l | 3.56 | 0.0 | | | Show Entry |
| Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) | PHUB000863 | 650.148299534 | C29H30O17 | Polyphenols | Flavonoids | Flavones | | ![]() | CWXBFJLEJGCTRB-PMUUMJNOSA-N | | 3-{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}oxolan-2-yl]methoxy}-3-oxopropanoic acid | 650.5383 | 8.60e-01 g/l | 0.60 | 0.0 | | | Show Entry |
| Apigenin 7-O-diglucuronide | PHUB000864 | 622.116999406 | C27H26O17 | Polyphenols | Flavonoids | Flavones | | ![]() | SJFTVAAHLRFBST-DBFWEQBMSA-N | | (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 622.4851 | 2.94e+00 g/l | 0.86 | 0.0 | | | Show Entry |
| Apigenin 7-O-glucoside | PHUB000865 | 432.105646844 | C21H20O10 | Polyphenols | Flavonoids | Flavones | | ![]() | KMOUJOKENFFTPU-QNDFHXLGSA-N | | apigenin 7-o-β-glucoside | 432.381 | 9.71e-01 g/l | 0.68 | 0.0 | Globe artichoke / Olive, black | | Show Entry |
| Apigenin 7-O-glucuronide | PHUB000866 | 446.084911418 | C21H18O11 | Polyphenols | Flavonoids | Flavones | | ![]() | JBFOLLJCGUCDQP-ZFORQUDYSA-N | | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid | 446.361 | 1.35e+00 g/l | 1.03 | 0.0 | | | Show Entry |
| Apiin | PHUB000867 | 564.147905582 | C26H28O14 | Polyphenols | Flavonoids | Flavones | Apigenin 7-O-apiosyl-glucoside | ![]() | NTDLXWMIWOECHG-YRCFQSNFSA-N | | apiin | 564.496 | 1.53e+00 g/l | -0.17 | 0.0 | | | Show Entry |
| Baicalein | PHUB000868 | 270.05282343 | C15H10O5 | Polyphenols | Flavonoids | Flavones | 5,6,7-Trihydroxyflavone | ![]() | FXNFHKRTJBSTCS-UHFFFAOYSA-N | | baicalein | 270.2369 | 1.53e-01 g/l | 3.19 | 0.0 | | | Show Entry |
| Carlinoside | PHUB000869 | 580.142820226 | C26H28O15 | Polyphenols | Flavonoids | Flavones | | ![]() | XBGYTZHKGMCEGE-VYUBKLCTSA-N | | carlinoside | 580.4915 | 8.23e+00 g/l | -0.75 | 0.0 | | | Show Entry |
| Chrysin | PHUB000870 | 254.057908808 | C15H10O4 | Polyphenols | Flavonoids | Flavones | 5,7-Dihydroxyflavone | ![]() | RTIXKCRFFJGDFG-UHFFFAOYSA-N | | chrysin | 254.2375 | 1.05e-01 g/l | 3.44 | 0.0 | | | Show Entry |
| Chrysoeriol | PHUB000871 | 300.063388116 | C16H12O6 | Polyphenols | Flavonoids | Flavones | Luteolin 3'-Methyl ether | ![]() | SCZVLDHREVKTSH-UHFFFAOYSA-N | | chrysoeriol | 300.2629 | 6.84e-02 g/l | 3.07 | 0.0 | | | Show Entry |
| Chrysin 5,7-dimethyl ether | PHUB000872 | 282.089208936 | C17H14O4 | Polyphenols | Flavonoids | Flavones | | ![]() | JRFZSUMZAUHNSL-UHFFFAOYSA-N | | 5,7-dimethoxyflavone | 282.2907 | 1.63e-02 g/l | 3.29 | 0.0 | | | Show Entry |
| Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) | PHUB000873 | 680.15886422 | C30H32O18 | Polyphenols | Flavonoids | Flavones | | ![]() | IGMXPYZQDLGVQE-NJCUNIDNSA-N | | 3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid | 680.5643 | 8.27e-01 g/l | 0.67 | 0.0 | | | Show Entry |
| Chrysoeriol 7-O-(6''-malonyl-glucoside) | PHUB000874 | 548.116605476 | C25H24O14 | Polyphenols | Flavonoids | Flavones | | ![]() | PLQBKZOSLQNLOX-GOZZSVHWSA-N | | 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid | 548.4497 | 3.54e-01 g/l | 1.28 | 0.0 | | | Show Entry |
| Chrysoeriol 7-O-apiosyl-glucoside | PHUB000875 | 594.15847029 | C27H30O15 | Polyphenols | Flavonoids | Flavones | | ![]() | GYQQQCVFOLKXGH-FSAPOUEDSA-N | | 7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | 594.5181 | 1.23e+00 g/l | 0.02 | 0.0 | | | Show Entry |
| Chrysoeriol 7-O-glucoside | PHUB000876 | 462.116211546 | C22H22O11 | Polyphenols | Flavonoids | Flavones | | ![]() | GAMYVSCDDLXAQW-MIUGBVLSSA-N | | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one | 462.4035 | 7.08e-01 g/l | 0.63 | 0.0 | | | Show Entry |
| Cirsilineol | PHUB000877 | 344.089602866 | C18H16O7 | Polyphenols | Flavonoids | Flavones | 5,4'-Dihydroxy-6,7,3'-trimethoxyflavone | ![]() | KLAOKWJLUQKWIF-UHFFFAOYSA-N | | eupatorin | 344.3154 | 4.47e-02 g/l | 2.95 | 0.0 | | | Show Entry |
| Cirsiliol | PHUB000878 | 330.073952802 | C17H14O7 | Polyphenols | Flavonoids | Flavones | | ![]() | IMEYGBIXGJLUIS-UHFFFAOYSA-N | | cirsiliol | 330.2889 | 6.15e-02 g/l | 3.05 | 0.0 | | | Show Entry |
| Cirsimaritin | PHUB000879 | 314.07903818 | C17H14O6 | Polyphenols | Flavonoids | Flavones | 5,4'-Dihydroxy-6,7-dimethoxyflavone; 6,7-Dimethylscutellarein; Skrofullein | ![]() | ZIIAJIWLQUVGHB-UHFFFAOYSA-N | | cirsimaritin | 314.2895 | 4.18e-02 g/l | 3.21 | 0.0 | | | Show Entry |
| Diosmetin | PHUB000880 | 300.063388116 | C16H12O6 | Polyphenols | Flavonoids | Flavones | Luteolin 4'-methyl ether | ![]() | MBNGWHIJMBWFHU-UHFFFAOYSA-N | | diosmetin | 300.2629 | 7.54e-02 g/l | 3.06 | 0.0 | | | Show Entry |
| Diosmin | PHUB000881 | 608.174120354 | C28H32O15 | Polyphenols | Flavonoids | Flavones | Diosmetin 7-O-rutinoside | ![]() | GZSOSUNBTXMUFQ-YFAPSIMESA-N | | diosmin | 608.5447 | 1.54e+00 g/l | 0.08 | 0.0 | | | Show Entry |
| Eupatilin | PHUB000882 | 344.089602866 | C18H16O7 | Polyphenols | Flavonoids | Flavones | Luteolin 4'-methyl ether | ![]() | DRRWBCNQOKKKOL-UHFFFAOYSA-N | | eupatilin | 344.3154 | 4.22e-02 g/l | 2.89 | 0.0 | | | Show Entry |
| Eupatorin | PHUB000883 | 344.089602866 | C18H16O7 | Polyphenols | Flavonoids | Flavones | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone | ![]() | KLAOKWJLUQKWIF-UHFFFAOYSA-N | | eupatorin | 344.3154 | 4.47e-02 g/l | 2.95 | 0.0 | | | Show Entry |
| Gardenin B | PHUB000884 | 358.10525293 | C19H18O7 | Polyphenols | Flavonoids | Flavones | 5-Hydroxy-6,7,8,4'-tetramethoxyflavone | ![]() | LXEVSYZNYDZSOB-UHFFFAOYSA-N | | gardenin B | 358.342 | 2.30e-02 g/l | 3.07 | 0.0 | | | Show Entry |
| Geraldone | PHUB000885 | 284.068473494 | C16H12O5 | Polyphenols | Flavonoids | Flavones | 7,4'-Dihydroxy-3'-methoxyflavone | ![]() | OUMMPAFEQHTYIZ-UHFFFAOYSA-N | | geraldone | 284.2635 | 5.38e-02 g/l | 3.37 | 0.0 | | | Show Entry |
| Hispidulin | PHUB000886 | 300.063388116 | C16H12O6 | Polyphenols | Flavonoids | Flavones | 5,7,4'-Trihydroxy-6-methoxyflavone; 6-Methoxyapigenin; 6-Methylscutellarein | ![]() | IHFBPDAQLQOCBX-UHFFFAOYSA-N | | hispidulin | 300.2629 | 7.91e-02 g/l | 3.09 | 0.0 | Common oregano / Common sage / Common thyme / Mexican origano / Rosemary | | Show Entry |
| Isoorientin | PHUB000887 | 448.100561482 | C21H20O11 | Polyphenols | Flavonoids | Flavones | Homoorientin; Luteolin 6-C-glucoside | ![]() | ODBRNZZJSYPIDI-VJXVFPJBSA-N | | isoorientin | 448.3769 | 2.04e+00 g/l | 0.39 | 0.0 | | | Show Entry |
| Isorhoifolin | PHUB000888 | 578.163555668 | C27H30O14 | Polyphenols | Flavonoids | Flavones | Apigenin 7-O-rutinoside | ![]() | FKIYLTVJPDLUDL-WCDRIBADSA-N | | 5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one | 578.5187 | 1.91e+00 g/l | -0.00 | 0.0 | Olive, black / Peppermint | | Show Entry |
| Isovitexin | PHUB000889 | 432.10564686 | C21H20O10 | Polyphenols | Flavonoids | Flavones | Apigenin 6-C-glucoside | ![]() | MYXNWGACZJSMBT-VJXVFPJBSA-N | | isovitexin | 432.3775 | 1.73e+00 g/l | 0.37 | 0.0 | | | Show Entry |
| Jaceosidin | PHUB000890 | 330.073952802 | C17H14O7 | Polyphenols | Flavonoids | Flavones | 5,7,4'-Trihydroxy-6,3'-dimethoxyflavone | ![]() | GLAAQZFBFGEBPS-UHFFFAOYSA-N | | jaceosidin | 330.2889 | 6.28e-02 g/l | 3.05 | 0.0 | | | Show Entry |
| Lucenin-2 | PHUB000891 | 610.153384886 | C27H30O16 | Polyphenols | Flavonoids | Flavones | Luteolin 6,8-di-C-glucoside | ![]() | ZLPSOQFIIQIIAX-VQVVXJKKSA-N | | lucenin-2 | 610.521 | 1.14e+01 g/l | -0.97 | 0.0 | | | Show Entry |
| Luteolin | PHUB000892 | 286.047738052 | C15H10O6 | Polyphenols | Flavonoids | Flavones | 5,7,3',4'-Tetrahydroxyflavone | ![]() | IQPNAANSBPBGFQ-UHFFFAOYSA-N | | | 286.2363 | | | 0.0 | Apple / Globe artichoke / Kiwi / Olive, black / Strawberry | | Show Entry |
| Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside | PHUB000893 | 666.143214156 | C29H30O18 | Polyphenols | Flavonoids | Flavones | | ![]() | LPOQROCPKZWCGK-CQRLEKJLSA-N | | 3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid | 666.5377 | 1.04e+00 g/l | 0.51 | 0.0 | | | Show Entry |
| Luteolin 7-O-(2-apiosyl-glucoside) | PHUB000894 | 580.142820226 | C26H28O15 | Polyphenols | Flavonoids | Flavones | | ![]() | YSXNEFJASLJGTK-YRCFQSNFSA-N | | 7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one | 580.4915 | 1.77e+00 g/l | -0.17 | 0.0 | | | Show Entry |
| Luteolin 7-O-diglucuronide | PHUB000895 | 638.111914028 | C27H26O18 | Polyphenols | Flavonoids | Flavones | | ![]() | SPWLSDULYCMRFB-VMEISIRMSA-N | | (2S,3S,4S,5R,6S)-6-[(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 638.4845 | 4.26e+00 g/l | 0.47 | 0.0 | | | Show Entry |
| Luteolin 7-O-glucoside | PHUB000896 | 448.100561482 | C21H20O11 | Polyphenols | Flavonoids | Flavones | Cynaroside | ![]() | PEFNSGRTCBGNAN-QNDFHXLGSA-N | | luteolin 7-O-glucoside | 448.3769 | 1.08e+00 g/l | 0.58 | 0.0 | Globe artichoke / Olive, black | | Show Entry |
| Luteolin 7-O-glucuronide | PHUB000897 | 462.07982604 | C21H18O12 | Polyphenols | Flavonoids | Flavones | | ![]() | VSUOKLTVXQRUSG-ZFORQUDYSA-N | | luteolin 7-O-glucuronide | 462.3604 | 1.38e+00 g/l | 1.22 | 0.0 | Lettuce | | Show Entry |
| Luteolin 7-O-malonyl-glucoside | PHUB000898 | 534.100955412 | C24H22O14 | Polyphenols | Flavonoids | Flavones | | ![]() | RNDGJCZQVKFBPI-ASDZUOGYSA-N | | 3-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid | 534.4231 | 6.41e-01 g/l | 1.26 | 0.0 | | | Show Entry |
| Luteolin 7-O-rutinoside | PHUB000899 | 594.15847029 | C27H30O15 | Polyphenols | Flavonoids | Flavones | Scolymoside | ![]() | MGYBYJXAXUBTQF-FOBVWLSUSA-N | | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one | 594.5181 | 2.07e+00 g/l | 0.01 | 0.0 | Globe artichoke | | Show Entry |
| Nepetin | PHUB000900 | 316.058302738 | C16H12O7 | Polyphenols | Flavonoids | Flavones | 5,7,3',4'-Tetrahydroxy-6-methoxyflavone; 6-Methoxyluteolin | ![]() | FHHSEFRSDKWJKJ-UHFFFAOYSA-N | | nepetin | 316.2623 | 1.17e-01 g/l | 2.75 | 0.0 | | | Show Entry |
| Nobiletin | PHUB000901 | 402.13146768 | C21H22O8 | Polyphenols | Flavonoids | Flavones | 5,6,7,8,3',4'-Hexamethoxyflavone | ![]() | MRIAQLRQZPPODS-UHFFFAOYSA-N | | nobiletin | 402.3946 | 9.20e-03 g/l | 2.62 | 0.0 | | | Show Entry |
| Pebrellin | PHUB000902 | 374.100167552 | C19H18O8 | Polyphenols | Flavonoids | Flavones | 5,6-Dihydroxy-7,8,3',4'-tetramethoxyflavone | ![]() | AREVFHPDZQHBHI-UHFFFAOYSA-N | | pebrellin | 374.3414 | 4.80e-02 g/l | 2.63 | 0.0 | | | Show Entry |
| Rhoifolin | PHUB000903 | 578.163555668 | C27H30O14 | Polyphenols | Flavonoids | Flavones | Apigenin 7-O-neohesperidoside | ![]() | RPMNUQRUHXIGHK-PYXJVEIZSA-N | | rhoifolin | 578.5187 | 2.55e+00 g/l | -0.00 | 0.0 | | | Show Entry |
| Rhoifolin 4'-O-glucoside | PHUB000904 | 740.216379098 | C33H40O19 | Polyphenols | Flavonoids | Flavones | Apigenin 7-O-neohesperidoside 4'-glucoside | ![]() | PTKZEWKSNFRXLZ-UHFFFAOYSA-N | | 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one | 740.6593 | 4.04e+00 g/l | -0.57 | 0.0 | | | Show Entry |
| Scutellarein | PHUB000905 | 286.047738052 | C15H10O6 | Polyphenols | Flavonoids | Flavones | 5,6,7,4'-Tetrahydroxyflavone; 6-Hydroxyapigenin | ![]() | JVXZRQGOGOXCEC-UHFFFAOYSA-N | | scutellarein | 286.2363 | 1.56e-01 g/l | 2.74 | 0.0 | | | Show Entry |
| Sinensetin | PHUB000906 | 372.120902994 | C20H20O7 | Polyphenols | Flavonoids | Flavones | 5,6,7,3',4'-Pentamethoxyflavone | ![]() | LKMNXYDUQXAUCZ-UHFFFAOYSA-N | | sinensetin | 372.3686 | 8.48e-03 g/l | 2.98 | 0.0 | | | Show Entry |
| Tangeretin | PHUB000907 | 372.120902994 | C20H20O7 | Polyphenols | Flavonoids | Flavones | 5,6,7,8,4'-Pentamethoxyflavone | ![]() | ULSUXBXHSYSGDT-UHFFFAOYSA-N | | tangeretin | 372.3686 | 9.30e-03 g/l | 2.88 | 0.0 | | | Show Entry |
| Tetramethylscutellarein | PHUB000908 | 342.110338308 | C19H18O6 | Polyphenols | Flavonoids | Flavones | 5,6,7,4'-Tetramethoxyflavone | ![]() | URSUMOWUGDXZHU-UHFFFAOYSA-N | | 4',5,6,7-tetramethoxyflavone | 342.3426 | 1.05e-02 g/l | 3.17 | 0.0 | | | Show Entry |
| Thymonin | PHUB000909 | 360.084517475 | C18H16O8 | Polyphenols | Flavonoids | Flavones | | ![]() | QZBUZNZTCQCSJK-UHFFFAOYSA-N | | 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7,8-dimethoxychromen-4-one | 360.318 | 8.20e-02 g/l | 2.71 | 0.0 | | | Show Entry |
| Tricin | PHUB000910 | 330.073952802 | C17H14O7 | Polyphenols | Flavonoids | Flavones | Tricetin 3',5'-dimethyl ether | ![]() | HRGUSFBJBOKSML-UHFFFAOYSA-N | | tricin | 330.2889 | 5.96e-02 g/l | 3.05 | 0.0 | | | Show Entry |
| Vicenin 2 | PHUB000911 | 594.15847029 | C27H30O15 | Polyphenols | Flavonoids | Flavones | Apigenin 6,8-di-C-glucoside | ![]() | FIAAVMJLAGNUKW-VQVVXJKKSA-N | | vicenin-2 | 594.5181 | 9.88e+00 g/l | -0.97 | 0.0 | Orange juice | | Show Entry |
| Vitexin | PHUB000912 | 432.10564686 | C21H20O10 | Polyphenols | Flavonoids | Flavones | Apigenin 8-C-glucoside | ![]() | SGEWCQFRYRRZDC-VPRICQMDSA-N | | vitexin | 432.3775 | 1.73e+00 g/l | 0.36 | 0.0 | | | Show Entry |
| Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate) | PHUB000913 | 655.277480455 | C30H45N3O11S | Terpenoids | Diterpenoids | Not Available | | ![]() | CWHSNVYWYFOEQJ-XOOUWMDMSA-N | | 2-amino-4-{[1-(carboxymethylcarbamoyl)-2-{[(1S,12S,17R)-6,10,17-trihydroxy-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-5(9)-en-7-yl]sulfanyl}ethyl]carbamoyl}butanoic acid | 655.76 | 4.18e-01 g/l | -3.08 | 0.0 | | Cafestol | Show Entry |
| Cafestol (2-hydroxy-) | PHUB000914 | 332.198759382 | C20H28O4 | Terpenoids | Diterpenoids | Not Available | | ![]() | XKTUWCSUXHKDDV-RGBPUHBWSA-N | | (1S,12S,16S,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-diene-10,17-diol | 332.44 | 7.28e-02 g/l | 1.87 | 0.0 | | Cafestol | Show Entry |
| Cafestol (2-hydroxy-,3,4-epoxide) | PHUB000915 | 348.193674002 | C20H28O5 | Terpenoids | Diterpenoids | Not Available | | ![]() | HTBXMMAMMYSHPY-WTBLDNHRSA-N | | (1S,13S,17R,18R)-18-(hydroxymethyl)-13-methyl-7,9-dioxahexacyclo[15.2.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0⁶,⁸]icos-5(10)-ene-11,18-diol | 348.439 | 3.31e-01 g/l | 0.59 | 0.0 | | Cafestol | Show Entry |
| Cafestol glucuronide | PHUB000916 | 492.5678392 | C26H36O9 | Terpenoids | Diterpenoids | Not Available | 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane | ![]() | | | | 492.235935 | | | 0.0 | | Cafestol | Show Entry |
| Cafestol sulfate | PHUB000917 | 396.5042844 | C20H28O6S | Terpenoids | Diterpenoids | Not Available | | ![]() | | | | 396.160662 | | | 0.0 | | Cafestol | Show Entry |
| Kahweol glucuronide | PHUB000918 | 490.5518874 | C26H34O9 | Terpenoids | Diterpenoids | Not Available | | ![]() | | | | 490.220285 | | | 0.0 | | Kahweol | Show Entry |
| Kahweol sulfate | PHUB000919 | 394.4883325 | C20H26O6S | Terpenoids | Diterpenoids | Not Available | | ![]() | | | | 394.145012 | | | 0.0 | | Kahweol | Show Entry |
| Phytanic acid | PHUB000920 | 312.302830528 | C20H40O2 | Terpenoids | Diterpenoids | Not Available | Phytanoic acid | ![]() | RLCKHJSFHOZMDR-PWCSWUJKSA-N | | phytanic acid | 312.538 | 8.17e-05 g/l | 7.28 | 0.0 | | Phytol | Show Entry |
| Phytenic acid (trans-delta 2-) | PHUB000921 | 310.287180464 | C20H38O2 | Terpenoids | Diterpenoids | Not Available | | ![]() | WDWBNNBRPVEEOD-PFXVRADUSA-N | | phytic acid | 310.522 | 1.22e-04 g/l | 7.12 | 0.0 | | Phytol | Show Entry |
| Phytenic acid (cis-delta 2-) | PHUB000922 | 310.287180464 | C20H38O2 | Terpenoids | Diterpenoids | Not Available | | ![]() | WDWBNNBRPVEEOD-UMSXXIAASA-N | | (2Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid | 310.522 | 1.22e-04 g/l | 7.12 | 0.0 | | Phytol | Show Entry |
| Phytenic acid (trans-delta 3-) | PHUB000923 | 310.287180464 | C20H38O2 | Terpenoids | Diterpenoids | Not Available | | ![]() | GGJDCSATCZWAPI-IWBCJCCCSA-N | | (3E,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid | 310.522 | 1.18e-04 g/l | 7.18 | 0.0 | | Phytol | Show Entry |
| Phytenic acid (cis-delta 3-) | PHUB000924 | 310.287180464 | C20H38O2 | Terpenoids | Diterpenoids | Not Available | | ![]() | GGJDCSATCZWAPI-UEJLOKKHSA-N | | (3Z,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid | 310.522 | 1.18e-04 g/l | 7.18 | 0.0 | | Phytol | Show Entry |
| Phytenic acid (3-methylene) | PHUB000925 | 310.287180464 | C20H38O2 | Terpenoids | Diterpenoids | Not Available | | ![]() | QNHDJVMLIZENIR-QZTJIDSGSA-N | | (7R,11R)-7,11,15-trimethyl-3-methylidenehexadecanoic acid | 310.522 | 3.19e-04 g/l | 6.88 | 0.0 | | Phytol | Show Entry |
| Hydroxyphytanic acid (alpha-) | PHUB000926 | 328.297745148 | C20H40O3 | Terpenoids | Diterpenoids | Not Available | | ![]() | CGKMKXBKVBXUGK-YYZRRKBYSA-N | | (7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid | 328.537 | 7.90e-04 g/l | 6.31 | 0.0 | | Phytol | Show Entry |
| Pristanic acid | PHUB000927 | 298.287180464 | C19H38O2 | Terpenoids | Diterpenoids | Not Available | | ![]() | PAHGJZDQXIOYTH-UHFFFAOYSA-N | | pristanic acid | 298.511 | 1.36e-04 g/l | 6.90 | 0.0 | | Phytol | Show Entry |
| 14-Hydroxycaryophyllene-5,6-oxide | PHUB000928 | 236.177630013 | C15H24O2 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | XLKXIWMHACWINL-ILDWOOSOSA-N | | [(1R,10S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-yl]methanol | 236.355 | 9.23e-02 g/l | 2.30 | 0.0 | | Caryophyllen-beta | Show Entry |
| Caryophyllene-5,6-oxide-2,12-glycol | PHUB000929 | 254.188194697 | C15H26O3 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | OHDVDXBNIVPOOL-OIPGIEPVSA-N | | (1R,10S)-9-(hydroxymethyl)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-ol | 254.37 | 6.79e-01 g/l | 1.49 | 0.0 | | Caryophyllen-beta | Show Entry |
| Nootkatone-13,14-diol | PHUB000930 | 252.172544633 | C15H24O3 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | DJPISZPEZJGKKI-UHFFFAOYSA-N | | 6-(1,2-dihydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one | 252.354 | 5.49e-01 g/l | 1.58 | 0.0 | | Nootkatone | Show Entry |
| 14-hydroxyisolongifoldaldehyde | PHUB000931 | 236.177630013 | C15H24O2 | Terpenoids | Sesquiterpenoids | Not Available | (2S, 7S)-14-hydroxyisolongifoldaldehyde | ![]() | LKZRUFUJHRFLEY-UHFFFAOYSA-N | | 3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.0²,⁹]undecane-8-carbaldehyde | 236.355 | 6.44e-02 g/l | 2.25 | 0.0 | | Longifolene | Show Entry |
| 3,7-Dimethyl-2-octaen-1,8-dioic acid | PHUB000933 | 200.104858995 | C10H16O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | VNSKHKIHRLWODC-VOTSOKGWSA-N | | (2E)-3,7-dimethyloct-2-enedioic acid | 200.234 | 1.24e+00 g/l | 1.59 | 0.0 | | Farnesol | Show Entry |
| 3,7-Dimethyl-6-octaen-1,8-dioic acid | PHUB000934 | 200.104858995 | C10H16O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | KWIQWVWDQRSGSQ-VMPITWQZSA-N | | (2E)-2,6-dimethyloct-2-enedioic acid | 200.234 | 9.81e-01 g/l | 1.68 | 0.0 | | Farnesol | Show Entry |
| 3,7-Dimethyl-2,7-decadien-1,10-dioic acid | PHUB000935 | 226.12050906 | C12H18O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | KSRDBWKRNKJWQI-OAMUUVBCSA-N | | (2E,7E)-3,7-dimethyldeca-2,7-dienedioic acid | 226.272 | 2.65e-01 g/l | 1.98 | 0.0 | | Farnesol | Show Entry |
| 3,7-Dimethyl-octan-1,8-dioic acid | PHUB000936 | 202.12050906 | C10H18O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | YXTSFTNUPXGYDZ-UHFFFAOYSA-N | | 2,6-dimethyloctanedioic acid | 202.25 | 1.50e+00 g/l | 1.69 | 0.0 | | Farnesol | Show Entry |
| 3,7-Dimethyl-7-decaen-1,10-dioic acid | PHUB000937 | 228.136159124 | C12H20O4 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | FNRNRFWWJJZSTN-RMKNXTFCSA-N | | (3E)-4,8-dimethyldec-3-enedioic acid | 228.288 | 4.44e-01 g/l | 2.15 | 0.0 | | Farnesol | Show Entry |
| Farnesol glucuronide | PHUB000938 | 398.230453435 | C21H34O7 | Terpenoids | Sesquiterpenoids | Not Available | Farnesyl glucuronide | ![]() | GNEHABOQLSVVFN-YFVJMOTDSA-N | | 3,4,5-trihydroxy-6-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}oxane-2-carboxylic acid | 398.496 | 2.86e-01 g/l | 2.65 | 0.0 | | Farnesol | Show Entry |
| 12-Hydroxyfarnesol | PHUB000939 | 238.193280077 | C15H26O2 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | FLIKBVTXNBEPQQ-RDUMTQBOSA-N | | (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol | 238.371 | 1.42e-01 g/l | 3.52 | 0.0 | | Farnesol | Show Entry |
| Hydroxyfarnesol glucuronide | PHUB000940 | 414.4973977 | C21H34O8 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | | | | 414.22537 | | | 0.0 | | Farnesol | Show Entry |
| Farnesoic acid | PHUB000942 | 236.177630013 | C15H24O2 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | WJHFZYAELPOJIV-UHFFFAOYSA-N | | farnesoic acid | 236.355 | 4.12e-02 g/l | 4.68 | 0.0 | | Farnesol | Show Entry |
| Farnesyl monophosphate | PHUB000943 | 302.164696347 | C15H27O4P | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | ALEWCKXBHSDCCT-FBXUGWQNSA-N | | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxyphosphonic acid | 302.351 | 2.65e-02 g/l | 3.40 | 0.0 | | Farnesol | Show Entry |
| Farnesyl pyrophosphate | PHUB000944 | 382.131027238 | C15H28O7P2 | Terpenoids | Sesquiterpenoids | Not Available | | ![]() | VWFJDQUYCIWHTN-YFVJMOTDSA-N | | [hydroxy([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy)phosphoryl]oxyphosphonic acid | 382.33 | 8.07e-02 g/l | 2.40 | 0.0 | | Farnesol | Show Entry |
| Oleanolic acid (Hydroxyl-) | PHUB000945 | 472.7111727 | C30H48O4 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | | | | 472.35526 | | | 0.0 | | Oleanolic acid | Show Entry |
| Oleanolic acid (Dihydroxyl-) | PHUB000946 | 488.7104778 | C30H48O5 | Terpenoids | Triterpenoids | Miscellaneous triterpenoids | | ![]() | | | | 488.350175 | | | 0.0 | | Oleanolic acid | Show Entry |
| Glycyrrhetinic acid 3-O-glucuronide | PHUB000948 | 646.371697939 | C36H54O10 | Terpenoids | Triterpenoids | Saponins | 3beta-monoglucuronyl-18beta-glycyrrhetinic acid | ![]() | HLDYLAJAWSKPFZ-HBKAJLBFSA-N | | (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 646.818 | 1.06e-02 g/l | 3.97 | 0.0 | | Glycyrrhizin | Show Entry |
| Glycyrrhetinic acid 30-O-glucuronide | PHUB000949 | 646.371697939 | C36H54O10 | Terpenoids | Triterpenoids | Saponins | | ![]() | PCQOITPWNKCXLU-TYBNYSPSSA-N | | 6-[(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 646.818 | 1.06e-02 g/l | 3.73 | 0.0 | | Glycyrrhizin | Show Entry |
| Glycyrrhetinic acid 3-O-sulfate | PHUB000950 | 550.296424995 | C30H46O7S | Terpenoids | Triterpenoids | Saponins | | ![]() | IKLVARHEXXESBF-YKLVYJNSSA-N | | (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-(sulfooxy)-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carboxylic acid | 550.75 | 4.51e-04 g/l | 2.47 | 0.0 | | Glycyrrhizin | Show Entry |
| Glycyrrhetinic acid 3-O-sulfate-30-glucuronide | PHUB000951 | 726.328512973 | C36H54O13S | Terpenoids | Triterpenoids | Saponins | | ![]() | PDPCLPSFPOLUFQ-TYBNYSPSSA-N | | 6-[(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-(sulfooxy)-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 726.88 | 3.53e-02 g/l | 2.14 | 0.0 | | Glycyrrhizin | Show Entry |
| Ginsenoside Rh1 | PHUB000953 | 638.439383576 | C36H62O9 | Terpenoids | Triterpenoids | Saponins | | ![]() | RAQNTCRNSXYLAH-GMRSYGDLSA-N | | (2R,3R,4S,5S,6R)-2-{[(2R,5S,8S,10R,11R,16R)-5,16-dihydroxy-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 638.883 | 7.43e-02 g/l | 2.68 | 0.0 | | Ginsenoside Re | Show Entry |
| Ginsenoside Rg2 | PHUB000954 | 784.497292378 | C42H72O13 | Terpenoids | Triterpenoids | Saponins | | ![]() | QOVKKEKBURQILF-HOJASPKOSA-N | | (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,8R,11R,16S)-5,16-dihydroxy-14-[(2S,5E)-2-hydroxy-6-methyloct-5-en-2-yl]-2,6,6,11-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol | 785.025 | 1.75e-01 g/l | 1.69 | 0.0 | | Ginsenoside Re | Show Entry |
| Ginsenoside F1 | PHUB000955 | 638.439383576 | C36H62O9 | Terpenoids | Triterpenoids | Saponins | | ![]() | QLPKLNOLHUEWSE-RQVRODNYSA-N | | (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(2R)-6-methyl-2-[(2R,8R,11R,14S,16S)-5,8,16-trihydroxy-2,6,6,11,14-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]hept-5-en-2-yl]oxy}oxane-3,4,5-triol | 638.883 | 6.95e-02 g/l | 2.54 | 0.0 | | Ginsenoside Re | Show Entry |
| Protopanaxatriol | PHUB000956 | 462.37091009 | C29H50O4 | Terpenoids | Triterpenoids | Saponins | | ![]() | MENWBNBVEGCKFK-JVYJPMTDSA-N | | (2R,5S,8S,10R,11R,16R)-14-[(1S)-1-hydroxy-5-methylhex-4-en-1-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,8,16-triol | 462.715 | 2.29e-02 g/l | 3.82 | 0.0 | | Ginsenoside Re | Show Entry |
| Camphene-2,10-glycol | PHUB000957 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | AVCGLLALGWYORY-SFVIPPHHSA-N | | (2R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol | 170.252 | 1.35e+01 g/l | 1.58 | 0.0 | | Camphene | Show Entry |
| Camphene-10,2-glycol | PHUB000958 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | AVCGLLALGWYORY-KTOWXAHTSA-N | | (2S)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol | 170.252 | 1.35e+01 g/l | 1.58 | 0.0 | | Camphene | Show Entry |
| 6-exo-Hydroxycamphene | PHUB000959 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | CFXJOMGPUADAJE-UHFFFAOYSA-N | | 5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptan-2-ol | 152.237 | 2.48e+00 g/l | 2.26 | 0.0 | | Camphene | Show Entry |
| 7-Hydroxycamphene | PHUB000960 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | KWDIOXFYRVLXFK-UHFFFAOYSA-N | | 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol | 152.237 | 2.70e+00 g/l | 2.32 | 0.0 | | Camphene | Show Entry |
| 3-Hydroxytricyclene | PHUB000961 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | CZKOAPQGASVMAO-UHFFFAOYSA-N | | 1,5,5-trimethyltricyclo[2.2.1.0²,⁶]heptan-3-ol | 152.237 | 2.49e+00 g/l | 1.68 | 0.0 | | Camphene | Show Entry |
| 10-hydroxytricyclene | PHUB000962 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | VUYGLHIDKHEDOF-UHFFFAOYSA-N | | {3,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-1-yl}methanol | 152.237 | 7.79e-01 g/l | 2.16 | 0.0 | | Camphene | Show Entry |
| Carane 9,10-dicarboxylic acid | PHUB000963 | 198.089208931 | C10H14O4 | Terpenoids | Monoterpenoids | Not Available | | ![]() | BJPLLVVMZQZECT-WNFCRHOISA-N | | (7R)-7-methylbicyclo[4.1.0]heptane-3,7-dicarboxylic acid | 198.218 | 1.02e+01 g/l | 1.22 | 0.0 | | Carane | Show Entry |
| m-mentha-4,6-dien-8-ol | PHUB000964 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | RVGIOKDRILNWNO-UHFFFAOYSA-N | | 2-(3-methylcyclohexa-1,3-dien-1-yl)propan-2-ol | 152.237 | 2.65e+00 g/l | 2.62 | 0.0 | | Carene | Show Entry |
| Cymen-8-ol (m-) | PHUB000965 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | | ![]() | NARIBLVZTLPQJB-UHFFFAOYSA-N | | 2-(3-methylphenyl)propan-2-ol | 150.221 | 1.32e+00 g/l | 2.52 | 0.0 | | Carene | Show Entry |
| 3-Carene-9-ol | PHUB000966 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | YPFHKSCCUJXMAG-ZDGBYWQASA-N | | [(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-en-7-yl]methanol | 152.237 | 1.97e+00 g/l | 1.90 | 0.0 | | Carene | Show Entry |
| 3-Carene-9-carboxylic acid | PHUB000967 | 166.099379691 | C10H14O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | IWWQJAJFNWJUSK-HHCGNCNQSA-N | | (1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid | 166.22 | 4.51e+00 g/l | 2.30 | 0.0 | | Carene | Show Entry |
| 3-carene-9,10-dicarboxylic acid | PHUB000968 | 196.073558866 | C10H12O4 | Terpenoids | Monoterpenoids | Not Available | | ![]() | XADPDVMQMMJJHT-RQJHMYQMSA-N | | (1S,6R)-3-methylbicyclo[4.1.0]hept-3-ene-7,7-dicarboxylic acid | 196.202 | 2.17e+01 g/l | 1.20 | 0.0 | | Carene | Show Entry |
| 3-caren-10-ol-9-carboxylic acid | PHUB000969 | 182.094294311 | C10H14O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | GOWUAPWJOOLHSA-HHCGNCNQSA-N | | (1S,6R)-7-(hydroxymethyl)-3-methylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid | 182.219 | 7.44e+00 g/l | 0.87 | 0.0 | | Carene | Show Entry |
| Carveol | PHUB000970 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | p-Mentha-1,8-dien-6-ol; trans-carveol | ![]() | BAVONGHXFVOKBV-UHFFFAOYSA-N | | carveol | 152.237 | 2.82e+00 g/l | 2.41 | 0.0 | | Carvone / Limonene | Show Entry |
| Carveol glucuronide | PHUB000971 | 328.152203113 | C16H24O7 | Terpenoids | Monoterpenoids | Not Available | | ![]() | BVXOWZPSSZQRID-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]oxy}oxane-2-carboxylic acid | 328.361 | 1.70e+01 g/l | 0.31 | 0.0 | | Carvone | Show Entry |
| Dihydrocarveol | PHUB000972 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | KRCZYMFUWVJCLI-UHFFFAOYSA-N | | dihydrocarveol | 154.253 | 1.32e+00 g/l | 2.70 | 0.0 | | Carvone | Show Entry |
| Carvonic acid | PHUB000973 | 180.078644246 | C10H12O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | BPJKNHQCPHBIAR-UHFFFAOYSA-N | | carvonic acid | 180.203 | 5.73e+00 g/l | 1.53 | 0.0 | | Carvone | Show Entry |
| Dihydrocarvonic acid | PHUB000974 | 182.094294311 | C10H14O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | WBPNIFAWLPCWGX-UHFFFAOYSA-N | | 2-(4-methyl-5-oxocyclohex-3-en-1-yl)propanoic acid | 182.219 | 7.82e+00 g/l | 1.53 | 0.0 | | Carvone | Show Entry |
| Uroterpenolone | PHUB000975 | 184.109944375 | C10H16O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | AOKPDATZUBLDMG-UHFFFAOYSA-N | | 5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one | 184.235 | 1.97e+01 g/l | 0.34 | 0.0 | | Carvone | Show Entry |
| Cuminaldehyde metabolite 2 | PHUB000977 | 180.078644246 | C10H12O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | SLFZJKUFAVHARP-UHFFFAOYSA-N | | 4-(2-hydroxypropan-2-yl)benzoic acid | 180.203 | 1.54e+00 g/l | 1.71 | 0.0 | | | Show Entry |
| Cuminaldehyde metabolite 3 | PHUB000978 | 180.078644246 | C10H12O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | BCXGOEMKNZQHEG-UHFFFAOYSA-N | | 4-(1-hydroxypropan-2-yl)benzoic acid | 180.203 | 1.17e+00 g/l | 1.60 | 0.0 | | Cuminaldehyde | Show Entry |
| Cuminaldehyde metabolite 4 | PHUB000979 | 194.057908802 | C10H10O4 | Terpenoids | Monoterpenoids | Not Available | | ![]() | ZHJJCJKDNFTHKD-UHFFFAOYSA-N | | 4-(1-carboxyethyl)benzoic acid | 194.186 | 9.10e-01 g/l | 1.69 | 0.0 | | Cuminaldehyde | Show Entry |
| Cuminaldehyde metabolite 5 | PHUB000980 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | | ![]() | OIGWAXDAPKFNCQ-UHFFFAOYSA-N | | cuminol | 150.221 | 6.51e-01 g/l | 2.63 | 0.0 | | Cuminaldehyde | Show Entry |
| Cymen-9-ol (p-) | PHUB000981 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | | ![]() | CLFDIFDNDWRHJF-UHFFFAOYSA-N | | 2-(4-methylphenyl)propan-1-ol | 150.221 | 7.82e-01 g/l | 2.51 | 0.0 | | Cymene-p | Show Entry |
| Tolylpropionic acid (alpha-,p-) | PHUB000982 | 164.083729626 | C10H12O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | KDYOFXPLHVSIHS-UHFFFAOYSA-N | | 2-(4-methylphenyl)propanoic acid | 164.204 | 8.50e-01 g/l | 2.46 | 0.0 | | Cymene-p | Show Entry |
| Cymen-8-ol (p-) | PHUB000983 | 150.104465071 | C10H14O | Terpenoids | Monoterpenoids | Not Available | | ![]() | XLPDVYGDNRIQFV-UHFFFAOYSA-N | | terpineol | 150.221 | 1.22e+00 g/l | 2.53 | 0.0 | | Cymene-p | Show Entry |
| Tolyl-alpha-hydroxylpropionic acid (alpha-) | PHUB000984 | 180.078644246 | C10H12O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | LXGWCXBGZLLXHZ-UHFFFAOYSA-N | | 2-hydroxy-2-(4-methylphenyl)propanoic acid | 180.203 | 8.01e+00 g/l | 1.26 | 0.0 | | Cymene-p | Show Entry |
| Tolylacrylic acid (alpha-) | PHUB000985 | 162.068079562 | C10H10O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | SPMMMKHRSINRIN-UHFFFAOYSA-N | | 2-(4-methylphenyl)prop-2-enoic acid | 162.188 | 6.32e-01 g/l | 2.66 | 0.0 | | Cymene-p | Show Entry |
| Isopropylbenzoic acid (p-) | PHUB000986 | 164.083729626 | C10H12O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | CKMXAIVXVKGGFM-UHFFFAOYSA-N | | 4-isopropylbenzoic acid | 164.204 | 2.77e-01 g/l | 2.86 | 0.0 | | Cuminaldehyde / Cymene-p / Perillyl aldehyde | Show Entry |
| 1-Hydroxyisopropylbenzoic acid (p-) | PHUB000987 | 180.078644246 | C10H12O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | SLFZJKUFAVHARP-UHFFFAOYSA-N | | 4-(2-hydroxypropan-2-yl)benzoic acid | 180.203 | 1.54e+00 g/l | 1.71 | 0.0 | | Cuminaldehyde / Cymene-p | Show Entry |
| Limonene-1,2-diol | PHUB000990 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | (1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol | ![]() | WKZWTZTZWGWEGE-UTLUCORTSA-N | | (1S,2S,4R)-limonene-1,2-diol | 170.252 | 1.46e+01 g/l | 1.11 | 0.0 | | Limonene | Show Entry |
| Limonene-8,9-diol | PHUB000991 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | 2-(4-methylcyclohex-3-en-1-yl)prop-1-ene-1,3-diol; Uroterpenol | ![]() | ZJALAEQNHJQSTN-UHFFFAOYSA-N | | 2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol | 170.252 | 1.68e+01 g/l | 1.54 | 0.0 | | Limonene / Myrcene | Show Entry |
| Limonene-8,9-diol glucuronide | PHUB000992 | 346.162767797 | C16H26O8 | Terpenoids | Monoterpenoids | Not Available | | ![]() | QLUXQCRCCGIUTP-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-[2-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propoxy]oxane-2-carboxylic acid | 346.376 | 1.53e+01 g/l | -0.40 | 0.0 | | Limonene | Show Entry |
| Limonene-10-ol | PHUB000993 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol | ![]() | UIMAEYMKYMNCGW-UHFFFAOYSA-N | | 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol | 152.237 | 1.87e+00 g/l | 2.55 | 0.0 | | Limonene | Show Entry |
| Limonene-10-ol-glucuronide | PHUB000994 | 328.152203113 | C16H24O7 | Terpenoids | Monoterpenoids | Not Available | | ![]() | UYTMBQNUNDXCOH-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl]oxy}oxane-2-carboxylic acid | 328.361 | 1.35e+01 g/l | 0.43 | 0.0 | | Limonene | Show Entry |
| Perillic acid | PHUB000996 | 166.099379691 | C10H14O2 | Terpenoids | Monoterpenoids | Not Available | 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid | ![]() | CDSMSBUVCWHORP-UHFFFAOYSA-N | | perillic acid | 166.22 | 1.63e+00 g/l | 2.47 | 0.0 | | Limonene / Perillyl aldehyde | Show Entry |
| Perillic acid glucuronide | PHUB000997 | 342.131467668 | C16H22O8 | Terpenoids | Monoterpenoids | Not Available | | ![]() | FHTHLGGWYHOQOW-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-[4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyloxy]oxane-2-carboxylic acid | 342.344 | 1.63e+01 g/l | 0.05 | 0.0 | | Limonene | Show Entry |
| Perillyl glycine | PHUB000998 | 223.120843411 | C12H17NO3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | BDECPMREPJQCEB-UHFFFAOYSA-N | | {[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]formamido}acetic acid | 223.272 | 1.22e+00 g/l | 1.55 | 0.0 | | Limonene | Show Entry |
| Perillic acid-8,9-diol | PHUB000999 | 200.104858995 | C10H16O4 | Terpenoids | Monoterpenoids | Not Available | | ![]() | OEPVVGSSFNHCPB-UHFFFAOYSA-N | | 4-(1,2-dihydroxypropan-2-yl)cyclohex-1-ene-1-carboxylic acid | 200.234 | 1.78e+01 g/l | 0.61 | 0.0 | | Limonene | Show Entry |
| Dihydroperillic acid (trans-) | PHUB001000 | 168.115029755 | C10H16O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | XZOBEDLKVOHSSH-DTORHVGOSA-N | | (1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid | 168.236 | 1.60e+00 g/l | 2.56 | 0.0 | | Limonene | Show Entry |
| Dihydroperillic acid (cis-) | PHUB001001 | 168.115029755 | C10H16O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | XZOBEDLKVOHSSH-KYZUINATSA-N | | (1r,4r)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid | 168.236 | 1.60e+00 g/l | 2.56 | 0.0 | | Limonene | Show Entry |
| Dihydroperillic acid glucuronide (trans-) | PHUB001002 | 344.147117733 | C16H24O8 | Terpenoids | Monoterpenoids | Not Available | | ![]() | SOFCHPTZCVYNEZ-GBZOVYLJSA-N | | 3,4,5-trihydroxy-6-[(1s,4s)-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-2-carboxylic acid | 344.36 | 1.82e+01 g/l | 0.00 | 0.0 | | Limonene | Show Entry |
| Dihydroperillic acid glucuronide (cis-) | PHUB001003 | 344.147117733 | C16H24O8 | Terpenoids | Monoterpenoids | Not Available | | ![]() | VHFLDVUTUUPFHN-OCSVBGQESA-N | | 4,5,6-trihydroxy-2-[(1r,4r)-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-3-carboxylic acid | 344.36 | 1.81e+01 g/l | 0.01 | 0.0 | | Limonene | Show Entry |
| p-mentha-1,8-dien-carboxylic-acid | PHUB001004 | 166.099379691 | C10H14O2 | Terpenoids | Monoterpenoids | Not Available | Perillic acid isomer | ![]() | ZUCQJOQBPVWZQK-UHFFFAOYSA-N | | 2-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid | 166.22 | 1.55e+00 g/l | 2.59 | 0.0 | | Limonene | Show Entry |
| Myrcene-3(10)-glycol | PHUB001005 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | OFWOMCSHJWTBGF-UHFFFAOYSA-N | | 2-ethenyl-6-methylhept-5-ene-1,2-diol | 170.252 | 6.41e+00 g/l | 1.42 | 0.0 | | Myrcene | Show Entry |
| Myrcene (3-Hydroxy, 10-carboxylic acid) | PHUB001006 | 184.109944375 | C10H16O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | LNVCRVBAADGZJE-UHFFFAOYSA-N | | 2-ethenyl-2-hydroxy-6-methylhept-5-enoic acid | 184.235 | 5.00e+00 g/l | 1.51 | 0.0 | | Myrcene | Show Entry |
| Myrcene-1,2-glycol | PHUB001007 | 170.13067982 | C10H18O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | CSRABKKYPRURRM-UHFFFAOYSA-N | | 7-methyl-3-methylideneoct-6-ene-1,2-diol | 170.252 | 6.95e+00 g/l | 1.48 | 0.0 | | Myrcene | Show Entry |
| Myrcene (2-hydroxy, 1-carboxylic acid) | PHUB001008 | 184.109944375 | C10H16O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | IMWIABNERYUMHO-UHFFFAOYSA-N | | 2-hydroxy-7-methyl-3-methylideneoct-6-enoic acid | 184.235 | 6.51e+00 g/l | 1.80 | 0.0 | | Myrcene | Show Entry |
| Menthane-3,7-diol (p-) | PHUB001011 | 172.146329884 | C10H20O2 | Terpenoids | Monoterpenoids | Not Available | 5-(hydroxymethyl)-2-(propan-2-yl)cyclohexan-1-ol | ![]() | SYKFBYLBABZJJQ-UHFFFAOYSA-N | | 5-(hydroxymethyl)-2-isopropylcyclohexan-1-ol | 172.268 | 1.09e+01 g/l | 1.59 | 0.0 | | Menthol | Show Entry |
| Menthane (3-Hydroxy-p-, 7-carboxylic acid) | PHUB001012 | 186.12559444 | C10H18O3 | Terpenoids | Monoterpenoids | Not Available | 2-[3-hydroxy-4-(propan-2-yl)cyclohexyl]acetic acid | ![]() | PSJWHBLMRRRGQW-UHFFFAOYSA-N | | 3-hydroxy-4-isopropylcyclohexane-1-carboxylic acid | 186.251 | 1.24e+01 g/l | 1.18 | 0.0 | | Menthol | Show Entry |
| Methane (3,8-dihydroxy-7-carboxylic acid) | PHUB001013 | 202.12050906 | C10H18O4 | Terpenoids | Monoterpenoids | Not Available | | ![]() | RIIGXCBSCSKGKB-UHFFFAOYSA-N | | 3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid | 202.25 | 4.55e+01 g/l | 0.37 | 0.0 | | Menthol | Show Entry |
| Menthane-3,7,8-triol (p-) | PHUB001014 | 188.2678032 | C10H20O3 | Terpenoids | Monoterpenoids | Not Available | 5-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)cyclohexan-1-ol | ![]() | | | | 188.141245 | | | 0.0 | | Menthol | Show Entry |
| Menthane-3,8-diol (p-) | PHUB001015 | 172.146329884 | C10H20O2 | Terpenoids | Monoterpenoids | Not Available | 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol | ![]() | LMXFTMYMHGYJEI-UHFFFAOYSA-N | | p-menthane-3,8-diol | 172.268 | 1.06e+01 g/l | 1.88 | 0.0 | | Menthol | Show Entry |
| Menthol glucuronide | PHUB001016 | 332.183503242 | C16H28O7 | Terpenoids | Monoterpenoids | Not Available | | ![]() | CLJGMBYGTHRUNF-PJOPELHJSA-N | | 3,4,5-trihydroxy-6-{[(2R)-2-isopropyl-5-methylcyclohexyl]oxy}oxane-2-carboxylic acid | 332.393 | 1.12e+01 g/l | 1.00 | 0.0 | | Menthol | Show Entry |
| Menthane (3,8-oxy-p-, 7-carboxylic acid) | PHUB001017 | 184.109944375 | C10H16O3 | Terpenoids | Monoterpenoids | Not Available | | ![]() | JJEXPXIJOIGQOA-UHFFFAOYSA-N | | 8,8-dimethyl-7-oxabicyclo[4.2.0]octane-4-carboxylic acid | 184.235 | 4.64e+00 g/l | 1.81 | 0.0 | | Menthol | Show Entry |
| Menthane (3,8-dihydroxy-p-, 7-carboxylic acid) | PHUB001018 | 202.12050906 | C10H18O4 | Terpenoids | Monoterpenoids | Not Available | | ![]() | RIIGXCBSCSKGKB-UHFFFAOYSA-N | | 3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid | 202.25 | 4.55e+01 g/l | 0.37 | 0.0 | | Menthol | Show Entry |
| Menthane-3,9-diol (p-) | PHUB001019 | 172.146329884 | C10H20O2 | Terpenoids | Monoterpenoids | Not Available | 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol | ![]() | BINZTUGHCIRHLP-UHFFFAOYSA-N | | 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol | 172.268 | 9.55e+00 g/l | 1.60 | 0.0 | | Menthol | Show Entry |
| Menthane (3-hydroxy-p-, 9-carboxylic acid) | PHUB001020 | 200.141244504 | C11H20O3 | Terpenoids | Monoterpenoids | Not Available | 3-(2-hydroxy-4-methylcyclohexyl)butanoic acid | ![]() | RZDAUSHWMAGQJS-UHFFFAOYSA-N | | 3-(2-hydroxy-4-methylcyclohexyl)butanoic acid | 200.278 | 2.97e+00 g/l | 1.87 | 0.0 | | Menthol | Show Entry |
| Menthane-3,8-diol glucuronide (p-) | PHUB001021 | 376.4046996 | C17H28O9 | Terpenoids | Monoterpenoids | Not Available | | ![]() | | | | 376.173335 | | | 0.0 | | Menthol | Show Entry |
| Perillyl aldehyde metabolite 1 | PHUB001022 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | NDTYTMIUWGWIMO-SNVBAGLBSA-N | | (-)-perillyl alcohol | 152.237 | 1.90e+00 g/l | 2.50 | 0.0 | | Perillyl aldehyde | Show Entry |
| Perillyl aldehyde metabolite 2 | PHUB001023 | 154.1357652 | C10H18O | Terpenoids | Monoterpenoids | Not Available | | ![]() | GMYHXOPIKMGWOM-UHFFFAOYSA-N | | [4-(prop-1-en-2-yl)cyclohexyl]methanol | 154.253 | 6.76e-01 g/l | 2.88 | 0.0 | | Perillyl aldehyde | Show Entry |
| Perillyl aldehyde metabolite 4 | PHUB001025 | 164.083729626 | C10H12O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | CKMXAIVXVKGGFM-UHFFFAOYSA-N | | 4-isopropylbenzoic acid | 164.204 | 2.77e-01 g/l | 2.86 | 0.0 | | Perillyl aldehyde | Show Entry |
| Verbenol (trans-) | PHUB001026 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | WONIGEXYPVIKFS-UHFFFAOYSA-N | | verbenol | 152.237 | 3.51e+00 g/l | 2.07 | 0.0 | | Pinene-alpha | Show Entry |
| Myrtenol | PHUB001027 | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Not Available | | ![]() | RXBQNMWIQKOSCS-UHFFFAOYSA-N | | myrtenol | 152.237 | 1.67e+00 g/l | 2.71 | 0.0 | | Pinene-alpha | Show Entry |
| Myrtenic acid | PHUB001028 | 166.099379691 | C10H14O2 | Terpenoids | Monoterpenoids | Not Available | | ![]() | XPHVDOXZJRTIMV-UHFFFAOYSA-N | | myrtenic acid | 166.22 | 2.08e+00 g/l | 2.49 | 0.0 | | Pinene-alpha | Show Entry |
| (-)-Epicatechin 3'-O-glucuronide | PHUB001029 | 466.111126148 | C21H22O12 | Polyphenols | Polyphenol metabolites | Flavanols | | ![]() | BUONZQIZWIITTB-FVNRAWLNSA-N | | | 466.395 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin 3'-O-sulfate | PHUB001030 | 370.035853205 | C15H14O9S | Polyphenols | Polyphenol metabolites | Flavanols | | ![]() | VBSMBNMUYITMLB-IUODEOHRSA-N | | {2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid | 370.33 | 1.38e+00 g/l | 0.01 | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin 4'-O-glucuronide | PHUB001031 | 466.111126148 | C21H22O12 | Polyphenols | Flavonoids | Flavanols | | ![]() | GFUPHJXKJATOLT-PYPAOAIXSA-N | | 3,4,6-trihydroxy-5-{2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid | 466.395 | 2.56e+00 g/l | 0.06 | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin 4'-O-sulfate | PHUB001032 | 370.035853205 | C15H14O9S | Polyphenols | Polyphenol metabolites | Flavanols | | ![]() | YKRWCINYMPRAIG-IUODEOHRSA-N | | {2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid | 370.33 | 1.28e+00 g/l | 0.05 | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin 5-O-sulfate | PHUB001033 | 370.035853205 | C15H14O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | MWSSRHFQMROXGK-IUODEOHRSA-N | | [(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid | 370.33 | 1.47e+00 g/l | -0.05 | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin 7-O-glucuronide | PHUB001034 | 466.111126148 | C21H22O12 | Polyphenols | Polyphenol metabolites | Flavanols | | ![]() | SOORKLKDTNCAQH-WYVOFCQHSA-N | | 5-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid | 466.395 | 2.62e+00 g/l | 0.02 | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin glucuronide | PHUB001035 | 466.3989068 | C21H22O12 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 466.11113 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| (-)-Epicatechin sulfoglucuronide | PHUB001037 | 546.4612115 | C21H22O15S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 546.067947 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| (Epi)catechin 3-O-gallate O-sulfate | PHUB001038 | 522.4417344 | C22H18O13S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 522.046817 | | | 0.0 | | (-)-Epicatechin 3-O-gallate | Show Entry |
| (Epi)catechin O-glucuronide | PHUB001039 | 466.3989068 | C21H22O12 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 466.11113 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| (Epi)catechin O-sulfate | PHUB001040 | 370.335352 | C15H14O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 370.035857 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| (Epi)gallocatechin O-glucuronide | PHUB001041 | 482.3982119 | C21H22O13 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 482.106045 | | | 0.0 | | (-)-Epigallocatechin | Show Entry |
| (Epi)gallocatechin O-sulfate | PHUB001042 | 386.3346571 | C15H14O10S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 386.030772 | | | 0.0 | | (-)-Epigallocatechin | Show Entry |
| (Epi)gallocatechin-3-O-gallate O-sulfate | PHUB001043 | 538.4410395 | C22H18O14S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 538.041732 | | | 0.0 | | (-)-Epigallocatechin 3-O-gallate | Show Entry |
| 1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol | PHUB001044 | 292.094688235 | C15H16O6 | Polyphenols | Flavonoids | Flavanols | | ![]() | OFUFTNROAPAIQL-UHFFFAOYSA-N | | 2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,3,5-triol | 292.287 | 3.28e-01 g/l | 0.83 | 0.0 | | (-)-Epicatechin / Procyanidin dimer B2 | Show Entry |
| 1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol | PHUB001045 | 276.2896941 | C15H16O5 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 276.099775 | | | 0.0 | | (-)-Epicatechin / Procyanidin dimer B2 | Show Entry |
| 3-(3',4'-Dihydroxyphenyl)propionic acid | PHUB001046 | 182.057908808 | C9H10O4 | Polyphenols | Flavonoids | Flavanols | | ![]() | DZAUWHJDUNRCTF-UHFFFAOYSA-N | | dihydrocaffeic acid | 182.1733 | 2.62e+00 g/l | 1.04 | 0.0 | | (-)-Epicatechin / Procyanidin dimer B2 / Caffeic acid | Show Entry |
| 3-(3'-Hydroxyphenyl)propionic acid | PHUB001047 | 166.062994186 | C9H10O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(3-Hydroxyphenyl)propanoic acid; 3-(3-hydroxyphenyl)propionic acid; 3-hydroxy-dihydrocinnamic acid; 3-hydroxyphenylpropionic acid; 3'-Hydroxy-dihydrocinnamic acid; m-Hydroxy-dihydrocinnamic acid | ![]() | QVWAEZJXDYOKEH-UHFFFAOYSA-N | 621-54-5 | 3-hydroxyphenylpropionic acid | 166.1739 | 2.80e+00 g/l | 1.14 | 0.0 | | (-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2 / Hesperetin / Caffeic acid / Caftaric acid / 5-O-Caffeoylquinic acid / Dihydrocaffeic acid / Ferulic acid / Rosmarinic acid | Show Entry |
| 3'-Hydroxyphenylacetic acid | PHUB001048 | 152.047344122 | C8H8O3 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | (3-Hydroxyphenyl)acetic acid; 3-Hydroxyphenylacetic acid | ![]() | FVMDYYGIDFPZAX-UHFFFAOYSA-N | 621-37-4 | 3-hydroxyphenylacetic acid | 152.1473 | 6.98e+00 g/l | 0.93 | 0.0 | | (-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2 / Caffeic acid / Quercetin / Rutin / Orange flavanones | Show Entry |
| 3'-O-Methyl-(-)-epicatechin 4'-O-sulfate | PHUB001049 | 384.051503269 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | QGMVQGQNIUVPMC-MLGOLLRUSA-N | | {2-methoxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid | 384.36 | 9.40e-01 g/l | 0.09 | 0.0 | | (-)-Epicatechin | Show Entry |
| 3'-O-Methyl-(-)-epicatechin 5-O-sulfate | PHUB001050 | 384.051503269 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | ZFUHNDPCTCXKQO-MLGOLLRUSA-N | | [(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid | 384.36 | 1.03e+00 g/l | 0.06 | 0.0 | | (-)-Epicatechin | Show Entry |
| 3'-O-Methyl-(-)-epicatechin 7-O-sulfate | PHUB001051 | 384.051503269 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | RIKCESGMRQZLKQ-CZUORRHYSA-N | | [(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid | 384.36 | 9.11e-01 g/l | 0.11 | 0.0 | | (-)-Epicatechin | Show Entry |
| 3'-O-Methyl-(-)-epicatechin glucuronide | PHUB001052 | 480.4258956 | C22H24O12 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 480.12678 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| 3'-O-Methyl(epi)catechin O-sulfate | PHUB001053 | 384.3623408 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 384.051507 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| 4'-O-Methyl-(-)-epicatechin 5-O-sulfate | PHUB001054 | 384.051503269 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | JSNCQMRECHVQQQ-MLGOLLRUSA-N | | [(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid | 384.36 | 1.08e+00 g/l | 0.06 | 0.0 | | (-)-Epicatechin | Show Entry |
| 4'-O-Methyl-(-)-epicatechin 7-O-sulfate | PHUB001055 | 384.051503269 | C16H16O9S | Polyphenols | Polyphenol metabolites | Flavanols | | ![]() | NCEYJABYRYYGNC-CZUORRHYSA-N | | [(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid | 384.36 | 9.43e-01 g/l | 0.11 | 0.0 | | (-)-Epicatechin | Show Entry |
| 4'-O-Methyl-(-)-epicatechin glucuronide | PHUB001056 | 480.4258956 | C22H24O12 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 480.12678 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| 4'-O-methyl(epi)catechin O-sulfate | PHUB001057 | 384.3623408 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 384.051507 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| 4'-O-methyl(epi)gallocatechin O-glucuronide | PHUB001058 | 496.4252007 | C22H24O13 | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 496.121695 | | | 0.0 | | (-)-Epigallocatechin | Show Entry |
| 4'-O-Methyl(epi)gallocatechin O-sulfate | PHUB001059 | 400.3616459 | C16H16O10S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 400.046422 | | | 0.0 | | (-)-Epigallocatechin | Show Entry |
| 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone | PHUB001060 | 208.073558872 | C11H12O4 | Polyphenols | Flavonoids | Flavanols | | ![]() | ZNXXWTPQHVLMQT-UHFFFAOYSA-N | | 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one | 208.2106 | 1.38e+00 g/l | 1.47 | 0.0 | | (+)-Catechin / (-)-Epicatechin / Procyanidin dimer B2 | Show Entry |
| 5-(3',4'-dihydroxyphenyl)valeric acid | PHUB001061 | 210.089208936 | C11H14O4 | Polyphenols | Flavonoids | Flavanols | | ![]() | KTDWBJGUMIZRHU-UHFFFAOYSA-N | | 5-(3,4-dihydroxyphenyl)pentanoic acid | 210.2265 | 6.79e-01 g/l | 1.87 | 0.0 | | (+)-Catechin / (-)-Epicatechin / Procyanidin dimer B2 | Show Entry |
| 5-(3'-hydroxyphenyl)valeric acid | PHUB001063 | 194.094294314 | C11H14O3 | Polyphenols | Flavonoids | Flavanols | | ![]() | CMLIEOOXQFWANJ-UHFFFAOYSA-N | | 5-(3-hydroxyphenyl)pentanoic acid | 194.2271 | 4.50e-01 g/l | 1.97 | 0.0 | | (-)-Epicatechin / Procyanidin dimer B2 | Show Entry |
| Methyl-(-)-epicatechin sulfate | PHUB001064 | 384.3623408 | C16H16O9S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 384.051507 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| Methyl-(-)-epicatechin sulfoglucuronide | PHUB001065 | 560.4882003 | C22H24O15S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 560.083597 | | | 0.0 | | (-)-Epicatechin | Show Entry |
| O-Methyl(epi)catechin-3-O-gallate O-sulfate | PHUB001066 | 536.4687232 | C23H20O13S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 536.062467 | | | 0.0 | | (-)-Epicatechin 3-O-gallate | Show Entry |
| O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate | PHUB001067 | 552.4680283 | C23H20O14S | Polyphenols | Flavonoids | Flavanols | | ![]() | | | | 552.057382 | | | 0.0 | | (-)-Epigallocatechin 3-O-gallate | Show Entry |
| Phenylacetic acid | PHUB001068 | 136.0524295 | C8H8O2 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 2-Phenylacetic acid; 2-Phenylethanoate | ![]() | WLJVXDMOQOGPHL-UHFFFAOYSA-N | 103-82-2 | ω-phenylacetic acid | 136.1479 | 3.61e+00 g/l | 1.72 | 0.0 | | (-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2 / Caffeic acid | Show Entry |
| 3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid | PHUB001069 | 212.068473486 | C10H12O5 | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | 3-(3-hydroxy-4-methoxyphenyl)-3-hydroxypropanoic acid; 3-(3-hydroxy-4-methoxyphenyl)hydracrylic acid; 3-(3'-hydroxy-4'-methoxyphenyl)-3-hydroxypropanoic acid; 3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid; 3-hydroxy-3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid | ![]() | JEXBTMWMYGBBHO-UHFFFAOYSA-N | | 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid | 212.201 | 3.51e+00 g/l | 0.95 | 0.0 | | Hesperidin / Orange flavanones | Show Entry |
| Dihydrocaffeic acid glucuronide | PHUB001076 | 358.3021714 | C15H18O10 | Polyphenols | Flavonoids | Flavanones | 3',4'-Dihydroxyhydrocinnamic acid glucuronide | ![]() | | | | 358.09 | | | 0.0 | | Eriocitrin / Eriodictyol | Show Entry |
| 3-Phenylpropionic acid | PHUB001078 | 150.068079564 | C9H10O2 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(Phenyl)propionic acid; 3-Phenylpropionate; Benzenepropanoic acid; Dihydrocinnamic acid | ![]() | XMIIGOLPHOKFCH-UHFFFAOYSA-N | 501-52-0 | 3-phenylpropionic acid | 150.1745 | 1.70e+00 g/l | 1.84 | 0.0 | | Procyanidin dimer A2 / Naringenin / Naringin / Caffeic acid / Coumaric acid (p-) / Ferulic acid | Show Entry |
| Eriodictyol 7-O-glucuronide | PHUB001081 | 464.095476084 | C21H20O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | YSORAXGDTRAEMV-UHFFFAOYSA-N | | eriodictyol 7-glucuronide | 464.379 | 1.90e+00 g/l | 1.11 | 0.0 | | Eriocitrin / Eriodictyol | Show Entry |
| Eriodictyol O-glucuronide | PHUB001083 | 464.3829549 | C21H20O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 464.09548 | | | 0.0 | | Eriodictyol-6-C-glucoside / Eriodictyol-8-C-glucoside | Show Entry |
| Eriodictyol O-sulfate | PHUB001085 | 368.3194001 | C15H12O9S | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 368.020207 | | | 0.0 | | Eriodictyol-6-C-glucoside / Eriodictyol-8-C-glucoside | Show Entry |
| Hesperetin 3',7-O-diglucuronide | PHUB001090 | 654.143214126 | C28H30O18 | Polyphenols | Flavonoids | Flavanones | | ![]() | DRQALSJOSDMKCR-UHFFFAOYSA-N | | 6-(5-{7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid | 654.53 | 3.09e+00 g/l | 0.06 | 0.0 | | Hesperetin / Hesperidin | Show Entry |
| Hesperetin 3'-O-glucuronide | PHUB001092 | 478.111126148 | C22H22O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | PJAUEKWZQWLQSU-UHFFFAOYSA-N | | 6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 478.406 | 1.79e+00 g/l | 0.72 | 0.0 | | Hesperetin / Hesperidin | Show Entry |
| Hesperetin 3'-O-sulfate | PHUB001094 | 382.035852736 | C16H14O9S | Polyphenols | Flavonoids | Flavanones | | ![]() | AXWNOFHBYPBYNO-UHFFFAOYSA-N | | [5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenyl]oxidanesulfonic acid | 382.342 | 6.32e-01 g/l | 0.41 | 0.0 | | Hesperetin / Hesperidin | Show Entry |
| Hesperetin 5,7-O-diglucuronide | PHUB001096 | 654.143214126 | C28H30O18 | Polyphenols | Flavonoids | Flavanones | | ![]() | DDHZYRQUEFLRIC-UHFFFAOYSA-N | | 6-({5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid | 654.53 | 4.13e+00 g/l | 0.06 | 0.0 | | Hesperetin / Hesperidin | Show Entry |
| Hesperetin 7-O-glucuronide | PHUB001098 | 478.111126148 | C22H22O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | NEAWXAXVQDDFJL-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid | 478.406 | 1.98e+00 g/l | 0.93 | 0.0 | | Hesperetin / Hesperidin | Show Entry |
| Hesperetin glucuronide | PHUB001100 | 478.4099437 | C22H22O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 478.11113 | | | 0.0 | | Eriocitrin / Eriodictyol | Show Entry |
| Hesperetin sulfoglucuronide | PHUB001102 | 558.4722484 | C22H22O15S | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 558.067947 | | | 0.0 | | Hesperetin / Hesperidin | Show Entry |
| Hesperetin-O-sulfate | PHUB001104 | 382.3463889 | C16H14O9S | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 382.035857 | | | 0.0 | | Hesperidin | Show Entry |
| Homoeriodictyol | PHUB001105 | 302.07903818 | C16H14O6 | Polyphenols | Flavonoids | Flavanones | | ![]() | FTODBIPDTXRIGS-UHFFFAOYSA-N | | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one | 302.2788 | 1.33e-01 g/l | 2.53 | 0.0 | | Eriocitrin / Eriodictyol / Hesperetin | Show Entry |
| Homoeriodictyol 4'-O-glucuronide | PHUB001108 | 478.111126148 | C22H22O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | QUQKBXQFNGNPRT-UHFFFAOYSA-N | | 5-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid | 478.406 | 1.34e+00 g/l | 0.61 | 0.0 | | Hesperetin | Show Entry |
| Homoeriodictyol 7-O-glucuronide | PHUB001109 | 478.111126148 | C22H22O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | DWRWUJOWQSLIKP-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid | 478.406 | 1.78e+00 g/l | 0.89 | 0.0 | | Hesperetin | Show Entry |
| Homoeriodictyol glucuronide | PHUB001110 | 478.4099437 | C22H22O12 | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 478.11113 | | | 0.0 | | Eriocitrin / Eriodictyol | Show Entry |
| Homoeriodictyol O-sulfate | PHUB001112 | 382.3463889 | C16H14O9S | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 382.035857 | | | 0.0 | | Hesperetin | Show Entry |
| Naringenin 4'-O-glucuronide | PHUB001113 | 448.100561464 | C21H20O11 | Polyphenols | Flavonoids | Flavanones | | ![]() | DFIUUCDSSKATFP-UHFFFAOYSA-N | | 6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | 448.38 | 1.48e+00 g/l | 0.73 | 0.0 | | Naringenin / Prunin / Naringin / Narirutin | Show Entry |
| Naringenin 7-O-glucuronide | PHUB001117 | 448.100561482 | C21H20O11 | Polyphenols | Flavonoids | Flavanones | | ![]() | BDCRTIDKZGEVEN-UHFFFAOYSA-N | | 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid | 448.3769 | 1.69e+00 g/l | 0.65 | 0.0 | | Naringenin / Prunin / Naringin / Narirutin | Show Entry |
| Naringenin O-diglucuronide | PHUB001121 | 624.5095093 | C27H28O17 | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 624.132655 | | | 0.0 | | Naringenin / Narirutin | Show Entry |
| Naringenin O-sulfate | PHUB001123 | 352.320095 | C15H12O8S | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 352.025292 | | | 0.0 | | Naringenin | Show Entry |
| Naringenin O-sulfo-O-glucuronide | PHUB001124 | 528.4459545 | C21H20O14S | Polyphenols | Flavonoids | Flavanones | | ![]() | | | | 528.057382 | | | 0.0 | | Naringenin | Show Entry |
| Phloroglucinol | PHUB001126 | 126.031694058 | C6H6O3 | Polyphenols | Polyphenol metabolites | Not Available | 1,3,5-benzoltriol; 1,3,5-trihydroxybenzene; 1,3,5-trihydroxyphenol; benzene-1,3,5-triol | ![]() | QCDYQQDYXPDABM-UHFFFAOYSA-N | 108-73-6 | phloroglucinol | 126.11 | 3.58e+01 g/l | 0.25 | 0.0 | | Eriodictyol / Hesperetin / Naringenin / Quercetin | Show Entry |
| 2,4,6-Trihydroxybenzoic acid | PHUB001129 | 170.021523302 | C7H6O5 | Polyphenols | Flavonoids | Flavonols | | ![]() | IBHWREHFNDMRPR-UHFFFAOYSA-N | | 2,4,6-trihydroxybenzoic acid | 170.1195 | 5.97e+00 g/l | 1.12 | 0.0 | | Quercetin | Show Entry |
| 2-Methoxyphenylacetic acid | PHUB001130 | 166.062994182 | C9H10O3 | Polyphenols | Flavonoids | Flavonols | | ![]() | IVEWTCACRDEAOB-UHFFFAOYSA-N | | benzeneacetic acid, 2-methoxy- | 166.176 | 2.24e+00 g/l | 1.67 | 0.0 | | Quercetin | Show Entry |
| 4-Ethylbenzoic acid | PHUB001132 | 150.068079564 | C9H10O2 | Polyphenols | Flavonoids | Flavonols | | ![]() | ZQVKTHRQIXSMGY-UHFFFAOYSA-N | | 4-ethylbenzoic acid | 150.1745 | 7.32e-01 g/l | 2.77 | 0.0 | | Quercetin | Show Entry |
| Isorhamnetin 7-O-glucuronide | PHUB001138 | 492.090390704 | C22H20O13 | Polyphenols | Flavonoids | Flavonols | 3'-O-Methylquercetin 7-O-glucuronide | ![]() | BFNMTBBQGPCZCH-UHFFFAOYSA-N | | 6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 492.389 | 1.41e+00 g/l | 1.05 | 0.0 | | Quercetin | Show Entry |
| Quercetin 3'-O-glucuronide | PHUB001141 | 478.074740662 | C21H18O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | LBJLXDMWOKJIPQ-JENRNSKYSA-N | 328006-77-5 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid | 478.3598 | 1.85e+00 g/l | 1.03 | 0.0 | | Quercetin / Quercetin 3,4'-O-diglucoside / Quercetin 4'-O-glucoside | Show Entry |
| Quercetin 4'-O-glucuronide | PHUB001143 | 478.074740662 | C21H18O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | OUQZCILJSVDJFB-JENRNSKYSA-N | 201463-36-7 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid | 478.3598 | 1.63e+00 g/l | 1.05 | 0.0 | | Quercetin | Show Entry |
| Quercetin 7-O-glucuronide | PHUB001144 | 478.07474064 | C21H18O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | JXWGCVLNCGCZRU-JENRNSKYSA-N | 38934-20-2 | (2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 478.362 | 1.71e+00 g/l | 1.04 | 0.0 | | Quercetin | Show Entry |
| Quercetin glucuronide | PHUB001145 | 478.3663081 | C21H18O13 | Polyphenols | Flavonoids | Flavonols | | ![]() | | | | 478.074745 | | | 0.0 | | Quercetin | Show Entry |
| Tamarixetin | PHUB001146 | 316.058302738 | C16H12O7 | Polyphenols | Flavonoids | Flavonols | 4'-O-Methyl quercetin | ![]() | FPLMIPQZHHQWHN-UHFFFAOYSA-N | | tamarixetin | 316.2623 | 1.51e-01 g/l | 1.95 | 0.0 | | Quercetin 4'-O-glucoside | Show Entry |
| 5,5'-Dicaffeic acid | PHUB001147 | 358.068867411 | C18H14O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Caffeic acid-5-5-caffeic acid | ![]() | GOQXOMYMZHGINX-ZPUQHVIOSA-N | | (2E)-3-{5'-[(1E)-2-carboxyeth-1-en-1-yl]-2',3',5,6-tetrahydroxy-[1,1'-biphenyl]-3-yl}prop-2-enoic acid | 358.302 | 3.24e-02 g/l | 2.89 | 0.0 | | 5,5'-Diferulic acid | Show Entry |
| 5,5'-Dihydroferulic acid | PHUB001148 | 390.131467668 | C20H22O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Dihydroferulic acid-5-5-dihydroferulic acid | ![]() | JRBMIJHXCZHZNJ-UHFFFAOYSA-N | | 3-[5'-(2-carboxyethyl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]propanoic acid | 390.388 | 1.87e-02 g/l | 2.30 | 0.0 | | 5,5'-Diferulic acid | Show Entry |
| Caffeic acid-5-5-dihydrocaffeic acid | PHUB001149 | 360.084517475 | C18H16O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | WTXOKXDJISAJCN-HNQUOIGGSA-N | | (2E)-3-[5'-(2-carboxyethyl)-2',3',5,6-tetrahydroxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid | 360.318 | 5.15e-02 g/l | 2.49 | 0.0 | | 5,5'-Diferulic acid | Show Entry |
| Ferulic acid-5-5-caffeic acid | PHUB001150 | 372.084517475 | C19H16O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | SSKZFABYAGMNNQ-ZUVMSYQZSA-N | | (2E)-3-{5'-[(1E)-2-carboxyeth-1-en-1-yl]-2',5,6-trihydroxy-3'-methoxy-[1,1'-biphenyl]-3-yl}prop-2-enoic acid | 372.329 | 1.59e-02 g/l | 3.04 | 0.0 | | 5,5'-Diferulic acid | Show Entry |
| Ferulic acid-5-5-dihydroferulic acid | PHUB001151 | 388.115817604 | C20H20O8 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | DUNGASGYXTWIDO-HWKANZROSA-N | | (2E)-3-[5'-(2-carboxyethyl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid | 388.372 | 1.80e-02 g/l | 2.72 | 0.0 | | 5,5'-Diferulic acid | Show Entry |
| 3-(4'-Hydroxy-3'-methoxyphenyl)pyruvic acid | PHUB001153 | 210.05282343 | C10H10O5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | YGQHQTMRZPHIBB-UHFFFAOYSA-N | | 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid | 210.1834 | 1.30e+00 g/l | 1.36 | 0.0 | | | Show Entry |
| 3-Hydroxyhippuric acid | PHUB001161 | 195.053157781 | C9H9NO4 | Polyphenols | Polyphenol metabolites | Not Available | 3'-Hydroxyhippuric acid; N-(3-hydroxybenzoyl)glycine | ![]() | XDOFWFNMYJRHEW-UHFFFAOYSA-N | 1637-75-8 | 3-hydroxyhippuric acid | 195.1721 | 2.91e+00 g/l | 0.52 | 0.0 | | (-)-Epicatechin / Caffeic acid / 5-O-Caffeoylquinic acid / Coumaric acid (m-) / Quercetin / Rutin / Orange flavanones | Show Entry |
| Caffeic acid sulfoglucuronide | PHUB001165 | 436.3485242 | C15H16O13S | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 436.031167 | | | 0.0 | | Caffeic acid | Show Entry |
| Dihydroferulic acid | PHUB001168 | 196.073558872 | C10H12O4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(3'-Methoxy-4'-hydroxyphenyl)propionic acid; 3-(4-Hydroxy-3-methoxyphenyl)dihydrocinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid; 3-(4-hydroxy-3-methoxyphenyl)propionic acid; 3-(4'-hydroxy-3'-methoxyphenyl)propionic acid | ![]() | BOLQJTPHPSDZHR-UHFFFAOYSA-N | 1135-23-5 | homovanillinic acid | 196.1999 | 1.30e+00 g/l | 1.03 | 0.0 | | Caffeic acid / Dihydrocaffeic acid / Ferulic acid / Orange flavanones | Show Entry |
| Ferulic acid-4'-O-glucuronide | PHUB001170 | 370.08999678 | C16H18O10 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | trans-Ferulic acid glucuronide | ![]() | TWSIWBHKRJLZCF-XZYOHINHSA-N | | (2R,3R,4S,5S,6R)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 370.31 | 3.81e+00 g/l | -0.23 | 0.0 | | Caffeic acid / Ferulic acid | Show Entry |
| Ferulic acid-4'-sulfate | PHUB001171 | 274.014723364 | C10H10O7S | Polyphenols | Phenolic acids | Hydroxycinnamic acids | trans-Ferulic acid sulfate | ![]() | PZPATWACAAOHTJ-HWKANZROSA-N | | (2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid | 274.247 | 4.25e-01 g/l | -0.32 | 0.0 | | Caffeic acid / Dihydrocaffeic acid / Ferulic acid / Rosmarinic acid | Show Entry |
| Ferulic acid sulfoglucuronide | PHUB001172 | 450.375513 | C16H18O13S | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 450.046817 | | | 0.0 | | Caffeic acid / Ferulic acid | Show Entry |
| Feruloylglycine | PHUB001173 | 251.079372531 | C12H13NO5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | CLGNQAIRBLDHIN-HWKANZROSA-N | | N-feruloylglycine | 251.2353 | 4.27e-01 g/l | 1.59 | 0.0 | | Caffeic acid / Ferulic acid | Show Entry |
| Hippuric acid | PHUB001174 | 179.058243159 | C9H9NO3 | Polyphenols | Polyphenol metabolites | Not Available | Hippurate; N-benzoylglycine | ![]() | QIAFMBKCNZACKA-UHFFFAOYSA-N | 495-69-2 | hippuric acid | 179.1727 | 1.18e+00 g/l | 0.23 | 0.0 | | (-)-Epicatechin / Cyanidin 3-O-glucoside / Caffeic acid / 5-O-Caffeoylquinic acid / Coumaric acid (p-) / Ferulic acid / Quinic acid / Orange flavanones | Show Entry |
| Hydroxybenzoic acid | PHUB001175 | 138.1230293 | C7H6O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 138.031695 | | | 0.0 | | Caffeic acid | Show Entry |
| Hydroxyhippuric acid | PHUB001176 | 195.175099 | C9H9NO4 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 195.053159 | | | 0.0 | | Caffeic acid | Show Entry |
| 4-Hydroxyphenylpropionic acid | PHUB001177 | 166.062994186 | C9H10O3 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(4-Hydroxyphenyl)propanoic acid; 3-(4-Hydroxyphenyl)propionic acid; Desaminotyrosine; Hydroxyphenylpropionate; Phloretic acid | ![]() | NMHMNPHRMNGLLB-UHFFFAOYSA-N | 501-97-3 | hydroxyphenyl propionic acid | 166.1739 | 2.71e+00 g/l | 1.15 | 0.0 | | Caffeic acid | Show Entry |
| Vanilloylglycine | PHUB001180 | 225.063722467 | C10H11NO5 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | LOODYTDRRBLQNH-UHFFFAOYSA-N | | {[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid | 225.198 | 7.73e-01 g/l | 0.74 | 0.0 | | Caffeic acid / Ferulic acid | Show Entry |
| Coumaric acid glucuronide (m-) | PHUB001194 | 340.2869145 | C15H16O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 340.079435 | | | 0.0 | | Coumaric acid (m-) | Show Entry |
| Coumaric acid-4'-O-glucuronide | PHUB001198 | 340.079432095 | C15H16O9 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 4-Hydroxy-cinnamic acid-4-O-glucuronide; 4-Hydroxycinnamic acid glucuronide; trans-Coumaric acid glucuronide | ![]() | SOKJXEKPKWKYKR-LZJCFMAWSA-N | | (2S,3S,4R,5R,6S)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | 340.284 | 4.66e+00 g/l | -0.20 | 0.0 | | Coumaric acid (p-) / Orange flavanones | Show Entry |
| Coumaric acid sulfate (p-) | PHUB001199 | 244.2233596 | C9H8O6S | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 244.004162 | | | 0.0 | | Coumaric acid (p-) | Show Entry |
| Coumaric acid sulfoglucuronide (p-) | PHUB001200 | 420.3492191 | C15H16O12S | Polyphenols | Phenolic acids | Hydroxycinnamic acids | | ![]() | | | | 420.036252 | | | 0.0 | | Coumaric acid (p-) | Show Entry |
| Dihydrocaffeic acid-3'-O-glucuronide | PHUB001204 | 358.08999678 | C15H18O10 | Polyphenols | Phenolic acids | Hydroxycinnamic acids | 3-(4'-Hydroxyphenyl)propionic acid-3'-O-glucuron |