PhytoHub: Compounds

Chemical Name	Identifier	Monoisotopic mass	Formula	Family	Class	Subclass	Synonyms	Inchikey	Cas number	IUPAC Name	Average mass	Solubility	Predicted logP	pKa	Food sources	Metabolites / Precursor
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	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		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		Show Entry
Cafestol	PHUB000006	316.203844762	C₂₀H₂₈O₃	Terpenoids	Diterpenoids	Not Available	Cafesterol	DNJVYWXIDISQRD-JTSSGKSMSA-N		cafestol	316.441	1.80e-02 g/l	3.04	0.0	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		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	Common sage / Rosemary		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	Coffee	Kahweol glucuronide / Kahweol sulfate	Show Entry
Asparagoside A	PHUB000011	578.381868699	C₃₃H₅₄O₈	Terpenoids	Miscellaneous terpenoids	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	Miscellaneous terpenoids	Saponins		WUSQCDWYDVFLMN-CIHABUNJSA-N		capsicoside A	1423.506	1.59e+01 g/l	-1.70	0.0	Paprika / Pepper C. annuum		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	Miscellaneous terpenoids	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	Miscellaneous terpenoids	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	Miscellaneous terpenoids	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	Miscellaneous terpenoids	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	Monoterpenoids	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 metabolite 1 / Camphene metabolite 2 / 6-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		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		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 1 / Cuminaldehyde metabolite 2 / Cuminaldehyde metabolite 3 / Cuminaldehyde metabolite 4 / Cuminaldehyde metabolite 5	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	Monoterpenoids	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		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	Terpenoids	Monoterpenoids	Not Available	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 (trans-) / 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	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	Monoterpenoids	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	Monoterpenoids	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	Monoterpenoids	Not Available		RFWGABANNQMHMZ-AGKURNLASA-N			540.518			0.0	Olive		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)	Perillyl aldehyde metabolite 1 / Perillyl aldehyde metabolite 2 / Perillyl aldehyde metabolite 3 / 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	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		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-ILOFNVQHSA-N		(+)-absinthin	496.644	1.44e-02 g/l	3.38	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	Pepper C. annuum		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-KHMAMNHCSA-N		caswell no. 264AB	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-2,6-octadien-1,8-dioic acid / 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	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		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-FZFNOLFKSA-N		mairin	456.711	2.04e-04 g/l	5.34	0.0	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-QGTGJCAVSA-N		lupeol	426.729	1.95e-04 g/l	5.97	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	Jujube	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 persimmon / Common sage / Common thyme / Guava / Mustard / Olive / Pear / Rosemary / Star fruit / Sweet basil		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-ZAPOICBTSA-N		uvaol	442.728	2.72e-04 g/l	6.13	0.0	Olive oil		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 / Olive oil / 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 / Olive oil / 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	Coffee / Soy bean / Soy milk	Daidzein 7-O-glucuronide / Daidzein 4'-O-glucuronide / Daidzein 7-O-sulfate / Dihydrodaidzein / Dihydrodaidzein 7-O-glucuronide	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			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-demethylangolensin	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			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	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Flavanols	3,5,7,3',4'-Pentahydroxyflavane	PFTAWBLQPZVEMU-CFMCSPIPSA-N		(3S)-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	Apple / Apricot		Show Entry
(-)-Epicatechin	PHUB000262	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Flavanols	3,5,7,3',4'-Pentahydroxyflavane	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	Apple / Apple cider / Apricot / Blackberry / Broad bean / Chocolate / Cocoa bean / Cocoa powder / Common chokecherry / Common walnut / European plum / Grape / Peach / Pear / Pomegranate / Sweet cherry / Tea	(-)-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 sulfate / (-)-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)-gama-valerolactone / 5-(3'-hydroxyphenyl)valeric acid / Methyl-(-)-epicatechin sulfate / Methyl-(-)-epicatechin sulfoglucuronide / Phenylacetic acid / 3'-Hydroxyhippuric acid / Hippuric acid	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		(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	Apricot	(Epi)gallocatechin O-glucuronide / (Epi)gallocatechin O-sulfate / 4'-O-methyl(epi)gallocatechin O-glucuronide / 4'-O-Methyl(epi)gallocatechin O-sulfate	Show Entry
(-)-Epigallocatechin 3-O-gallate	PHUB000265	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		(Epi)gallocatechin-3-O-gallate O-sulfate / O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate	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			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			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		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			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			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		Benzoic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyphenylacetic acid / Phenylacetic acid / 3-Phenylpropionic acid / 3',4'-Dihydroxyphenylacetic acid / 4'-Hydroxyphenylacetic 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		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	(-)-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			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			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		(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			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		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			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			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			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			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			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			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			Show Entry
3,5-Dihydroxybenzoic acid	PHUB000293	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Hydroxybenzoic acids	5-Carboxyresorcinol; α-Resorcylic acid	UYEMGAFJOZZIFP-UHFFFAOYSA-N		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	m-Hydroxybenzoic acid	IJFXRHURBJZNAO-UHFFFAOYSA-N		3-hydroxybenzoic acid	138.122	1.02e+01 g/l	1.81	0.0		Cyanidin 3-O-glucoside / Caffeic acid / Chlorogenic acid / Ferulic acid	Show Entry
4-Hydroxybenzoic acid	PHUB000295	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Hydroxybenzoic acids	p-Hydroxybenzoic acid	FJKROLUGYXJWQN-UHFFFAOYSA-N		P-hydroxybenzoic acid	138.122	1.19e+01 g/l	1.58	0.0		Cyanidin 3-O-glucoside / Orange flavanones	Show Entry
4-Hydroxybenzoic acid 4-O-glucoside	PHUB000296	300.084517475	C₁₃H₁₆O₈	Polyphenols	Phenolic acids	Hydroxybenzoic acids		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			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		Procyanidin dimer A2 / Caftaric acid / Chlorogenic acid / Coumaric acid (p-) / Quercetin	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	Common walnut / Cranberry / Grapes / Peach / Pecan nut / Pomegranate / Red raspberry / Strawberry	Urolithin A / Urolithin A-3-O-glucuronide / Urolithin A-8-O-glucuronide / Urolithin B / Urolithin B-3-O-glucuronide / Urolithin C / Urolithin C-3-O-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-FYZLSVPNSA-N		7,13,14-trihydroxy-6-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]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-XQKIPRNGSA-N		7,13,14-trihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione	464.335	4.74e+00 g/l	0.17	0.0			Show Entry
Gallic acid	PHUB000303	170.021523293	C₇H₆O₅	Polyphenols	Phenolic acids	Hydroxybenzoic acids	3,4,5-Trihydroxybenzoic acid	LNTHITQWFMADLM-UHFFFAOYSA-N		galop	170.12	4.94e+00 g/l	1.17	0.0	Apple		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			Show Entry
Gentisic acid	PHUB000308	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Hydroxybenzoic acids	2,5-Dihydroxybenzoic acid; 5-Hydroxysalicylic acid	WXTMDXOMEHJXQO-UHFFFAOYSA-N		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		3,4-dihydroxybenzoic acid	154.121	1.24e+01 g/l	1.32	0.0	Apricot		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			Show Entry
Syringic acid	PHUB000313	198.052823422	C₉H₁₀O₅	Polyphenols	Phenolic acids	Hydroxybenzoic acids	3,5-Dimethoxy-4-hydroxybenzoic acid	JMSVCTWVEWCHDZ-UHFFFAOYSA-N		syringic acid	198.174	3.71e+00 g/l	1.55	0.0		Malvidin-3-O-glucoside	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			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	4-Hydroxy-3-methoxybenzoic acid; p-Vanillic acid	WKOLLVMJNQIZCI-UHFFFAOYSA-N		vanillic acid	168.148	5.70e+00 g/l	1.70	0.0	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		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 / Rosé wine / White wine		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		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		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		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		Show Entry
Resveratrol (trans-)	PHUB000324	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Not Available	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 / Garden tomato / 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 / White grape juice / White wine / White wine grape	trans-Resveratrol 3-O-glucuronide / trans-Resveratrol 3-O-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 / Garden tomato / Itadori tea / Lentil coat / Lingonberry / Peanut / Pistachio / Pomace / Red grape juice / Red wine / Rosé wine / Strawberry / White grape juice / White wine		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		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 / Garden tomato / Lingonberry / Pistachio / Red grape juice / Red wine / Rosé wine / Strawberry / White grape juice / White wine		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 / Garden tomato / Green tea / Peach juice / Pistachio / Red grape juice / Red tea / Red wine / Red wine grape / Rosé wine / Tilia tea / White grape juice / White wine / White wine grape		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	Paprika / Pepper C. annuum		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	Paprika / Pepper C. annuum		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	Paprika / Pepper C. annuum		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 / Broccoli / Carrot / Common pea / Garden tomato / Pepper C. annuum		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 / Broccoli / Brussel sprouts / Carrot / Cherry tomato / Common cabbage / Common pea / Common sage / Endive / European plum / Garden cress / Garden tomato / Green bean / Guava / Kale / Ketchup / Leek / Lettuce / Mango / Nectarine / Papaya / Parsley / Peach / Pepper C. annuum / Pineapple / Pistachio / Pumpkin / Red chili / Spinach / Sweet basil / Sweet orange / Sweet potato / Watermelon		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 / Carrot / Common persimmon / Corn / Garden tomato / Pepper C. annuum		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 / Garden tomato / Papaya / Sweet orange / 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 / Common sage / Corn / Dill / Guava / Mandarin orange (Clementine, Tangerine) / Mango / Orange juice / Papaya / Pepper C. annuum / 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 / Broccoli / Carrot / Common cabbage / Common pea / Common sage / Corn / Cucumber / Dill / Egg yolk / Endive / European plum / Garden cress / Garden tomato / Kale / Leek / Lettuce / Olive oil / Papaya / Parsley / Peach / Pepper C. annuum / Pineapple / Pistachio / Pumpkin / Spinach / 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 / Garden tomato / Guava / Ketchup / Mango / Papaya / Persimmon / Pineapple / Pumpkin / 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	Garden 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	Garden tomato / Papaya / Sweet orange		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 / Common pea / Corn salad / Endive / European plum / Leek / Peach / Pepper C. annuum / 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 / Common cabbage / Common pea / Corn salad / Endive / Leek / Lettuce / Mango / Paprika / Peach / Pepper C. annuum / 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 / Carrot / Celeriac / Corn / Kale / Lettuce / Pepper C. annuum / 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	Flavanones	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	Flavanones	5,7,4'-Trihydroxy-8-prenylflavanone; Isobavachin	LPEPZZAVFJPLNZ-UHFFFAOYSA-N		sophoraflavanone B	340.375	1.55e-02 g/l	3.23	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			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		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 / 3-(3'-Hydroxy-4'-methoxyphenyl)propionic 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	Flavanones	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			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			Show Entry
Naringenin	PHUB000387	272.068473486	C₁₅H₁₂O₅	Polyphenols	Flavonoids	Flavanones	5,7,4'-Trihydroxyflavanone	FTVWIRXFELQLPI-UHFFFAOYSA-N		asahina	272.256	2.14e-01 g/l	2.47	0.0		Coumaric acid (p-) / 3-(4'-Hydroxyphenyl)propionic 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	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		3-(4'-Hydroxyphenyl)propionic 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			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		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-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-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 (15-Z-)	PHUB000457	544.500802061	C₄₀H₆₄	Terpenoids	Carotenoids	Not Available		YVLPJIGOMTXXLP-BHLJUDRVSA-N		cis-phytoene	544.952	3.17e-04 g/l	9.60	0.0	Apricot		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		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 / Garden tomato / Kale / Leek / Macadamia nut / Peanut / Pecan nut / Pine nut / Pistachio / Poppy / Sesame / Sunflower		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 / Garden onion / Garden tomato / Grape / Kiwi / Leek / Lettuce / Macadamia nut / Oat / Orange juice / Parsley / Passion fruit / Peanut / Pecan nut / Pepper / Pine nut / Pistachio / Poppy / Potato / Rapeseed / Redcurrant / Rye / Sesame / Soy bean / Spinach / Strawberry / Sunflower / Swede / Sweet orange / 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 / Garden tomato / Peanut / Pecan nut / Pine nut / Pistachio / Poppy / Sunflower		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 / Garden onion / Garden tomato / Grape / Grapefruit / Kale / Kiwi / Leek / Lemon / Lettuce / Macadamia nut / Oat / Olive / 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 / 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 / Garden onion / Garden tomato / Grape / Kiwi / Lettuce / Orange juice / Parsley / Peanut / Pecan nut / Pepper / Pine nut / Pistachio / Poppy / Potato / Redcurrant / Soy bean / Spinach / Sunflower / Sweet orange		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		cyanidin	287.2442	4.89e-02 g/l	2.41	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	RDFLLVCQYHQOBU-PKICTZKZSA-O		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		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			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	Apple		Show Entry
Cyanidin 3-O-glucoside	PHUB000503	449.107837916	C₂₁H₂₁O₁₁	Polyphenols	Flavonoids	Anthocyanins		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		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 / 3,4-Dihydroxybenzaldehyde / 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		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		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		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		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			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			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			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			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			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			Show Entry
1-Caffeoylquinic acid	PHUB000514	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids	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			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			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			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	DOPAC; Dopacetic acid; Homogentisic acid; Homoprotocatechuic acid	CFFZDZCDUFSOFZ-UHFFFAOYSA-N		3,4 dihydroxyphenylacetic acid	168.1467	7.23e+00 g/l	0.93	0.0		Cyanidin 3-O-glucoside / Ferulic acid	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			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-Caffeoylquinic acid	PHUB000530	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Neochlorogenic acid	CWVRJTMFETXNAD-DUXPYHPUSA-N		chlorogenic acid	354.3087	3.44e+00 g/l	0.17	0.0			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			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		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			Show Entry
4-Caffeoylquinic acid	PHUB000537	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Cryptochlorogenic acid	GYFFKZTYYAFCTR-BKRVHWFXSA-N		(3R,5S)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid	354.3087	3.12e+00 g/l	0.17	0.0	Apple		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			Show Entry
4-Hydroxybenzaldehyde	PHUB000542	122.036779436	C₇H₆O₂	Polyphenols	Phenolic acids	Miscellaneous phenolic acids	4-Formylphenol; p-Hydroxybenzaldehyde	RGHHSNMVTDWUBI-UHFFFAOYSA-N		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		XQXPVVBIMDBYFF-UHFFFAOYSA-N		4-hydroxyphenylacetic acid	152.1473	7.12e+00 g/l	0.93	0.0		Cyanidin 3-O-glucoside	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			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			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			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			Show Entry
5-Heneicosenylresorcinol	PHUB000551			Polyphenols	Phenolic acids	Miscellaneous phenolic acids								0.0			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			Polyphenols	Phenolic acids	Miscellaneous phenolic acids								0.0			Show Entry
5-Heptadecylresorcinol	PHUB000554	348.302830524	C₂₃H₄₀O₂	Polyphenols	Phenolic acids	Miscellaneous phenolic acids		BBGNINPPDHJETF-UHFFFAOYSA-N		5-heptadecylbenzene-1,3-diol	348.5625	1.77e-04 g/l	8.79	0.0			Show Entry
5-Nonadecenylresorcinol	PHUB000555			Polyphenols	Phenolic acids	Miscellaneous phenolic acids								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			Polyphenols	Phenolic acids	Miscellaneous phenolic acids								0.0			Show Entry
5-Pentacosylresorcinol	PHUB000560	460.428031036	C₃₁H₅₆O₂	Polyphenols	Phenolic acids	Miscellaneous phenolic acids		GDJMJAKVVSGNLA-UHFFFAOYSA-N		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			Polyphenols	Phenolic acids	Miscellaneous phenolic acids								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	3,4-Dihydroxycinnamic acid	QAIPRVGONGVQAS-DUXPYHPUSA-N		caffeic acid	180.1574	1.61e+00 g/l	1.67	0.0	Apple / Blueberry / Broccoli / Cider / Coffee / Common wheat / Strawberry / White wine grape	3-Hydroxybenzoic acid / Vanillic acid / Coumaric acid (m-) / Dihydrocaffeic acid / Ferulic acid / Isoferulic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyhippuric acid / Caffeic acid glucuronide / Caffeic acid sulfoglucuronide / Dihydroferulic acid / Ferulic acid glucuronide / Ferulic acid sulfate / Ferulic acid sulfoglucuronide / Feruloylglycine / Hippuric acid / Hydroxybenzoic acid / Hydroxyhippuric acid / Hydroxyphenylpropionic acid / Vanilloylglycine	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			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			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 wine / Lettuce / 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	Phenolic acids	Miscellaneous phenolic acids	1,2-Dihydroxybenzene; brenzcatechin; Hydroxyphenol; Pyrocatechol	YCIMNLLNPGFGHC-UHFFFAOYSA-N	120-80-9	catechol	110.1106	7.50e+01 g/l	0.74	0.0			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
Chlorogenic acid	PHUB000585	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids	3-Caffeoylquinic acid	CWVRJTMFETXNAD-KJOPMHRFSA-N		(1R,3S,4S,5S)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid	354.3087	3.44e+00 g/l	0.17	0.0	Apple / Apricot / Blueberry / Cider / Coffee / European plum / Sweet cherry	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		cinnamic acid	148.1586	6.18e-01 g/l	2.38	0.0			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-Hydroxycinnamic acid	KKSDGJDHHZEWEP-SNAWJCMRSA-N		m-coumaric acid	164.158	1.04e+00 g/l	1.71	0.0	Blackberry / Blueberry / Broccoli / Cider / Coffee / Grapes / Lettuce / 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	PMOWTIHVNWZYFI-AATRIKPKSA-N		O-coumaric acid	164.158	1.15e+00 g/l	1.90	0.0	Apple		Show Entry
Coumaric acid (p-)	PHUB000590	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Hydroxycinnamic acids	4-Hydroxycinnamic acid	NGSWKAQJJWESNS-ZZXKWVIFSA-N		coumaric acid	164.158	1.02e+00 g/l	1.74	0.0	Apple / Wheat bread	Benzoic acid / 3-(4'-Hydroxyphenyl)propionic acid / 3-Phenylpropionic acid / Hippuric acid / Coumaric acid glucuronide (p-) / Coumaric acid sulfate (p-) / Coumaric acid sulfoglucuronide (p-) / Hydroxybenzoic acid (p-)	Show Entry
Coumaric acid 4-O-glucoside (p-)	PHUB000591	326.100167552	C₁₅H₁₈O₈	Polyphenols	Phenolic acids	Hydroxycinnamic acids		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			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		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			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			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	Common wheat / Corn	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		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			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; 3,4-Dihydroxyhydrocinnamic acid	DZAUWHJDUNRCTF-UHFFFAOYSA-N		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 / Spinach / Wheat bread	Vanillic acid / Isoferulic acid / 3-(3'-Hydroxyphenyl)propionic acid / Dihydroferulic acid / Ferulic acid sulfate / Dihydrocaffeic acid 3-O-glucuronide / Dihydrocaffeic acid 4-O-glucuronide / Dihydrocaffeic acid sulfate / Dihydroferulic acid sulfate / Isoferulic acid sulfate	Show Entry
Dihydro-p-coumaric acid	PHUB000605	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Miscellaneous phenolic acids	4-Hydroxy-phenyl-propanoic acid; 4-Hydroxyphenylpropionic acid; p-Hydroxyphenylpropanoate; Phloretic acid	NMHMNPHRMNGLLB-UHFFFAOYSA-N		hydroxyphenyl propionic acid	166.1739	2.71e+00 g/l	1.15	0.0			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	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-methoxy-4-hydroxycinnamic acid	KSEBMYQBYZTDHS-HWKANZROSA-N		ferulic acid	194.184	9.06e-01 g/l	1.58	0.0	Bilberry / Black mulberry / Blackberry / Blueberry / Broccoli / Cocoa bean / Common bean / Common walnut / Date / Eggplant / Fennel / Grapefruit / Hard wheat / Rapeseed / Red raspberry / Rosemary / Spinach / Strawberry / Sweet orange / Tarragon / White wine	3-Hydroxybenzoic acid / Vanillic acid / 3,4-Dihydroxyphenylacetic acid / Dihydrocaffeic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3-(4'-Hydroxyphenyl)propionic acid / 3-Phenylpropionic acid / Dihydroferulic acid / Ferulic acid glucuronide / Ferulic acid sulfate / Ferulic acid sulfoglucuronide / Feruloylglycine / Hippuric acid / Vanilloylglycine / Hydroxybenzoic acid (p-) / 3,4-Dihydroxybenzoic acid / 3,4-Dimethoxybenzoic acid	Show Entry
Ferulic acid 4-O-glucoside	PHUB000609	356.110732224	C₁₆H₂₀O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids		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	3-Methoxy-4-hydroxyphenylacetate; 3-Methoxy-4-hydroxyphenylacetic acid; 3'-Methoxy-4'-hydroxyphenylacetic acid;; 4-Hydroxy-3-methoxybenzeneacetic acid	QRMZSPFSDQBLIX-UHFFFAOYSA-N		homovanillic acid	182.1733	2.72e+00 g/l	1.02	0.0		Orange flavanones	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	4-Methoxy-3-Hydroxycinnamic acid; 4-Methylcaffeic acid; Hesperetic acid	QURCVMIEKCOAJU-HWKANZROSA-N		isoferulic acid	194.184	8.71e-01 g/l	1.56	0.0		Caffeic acid / Chlorogenic 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			Show Entry
Neochlorogenic acid	PHUB000625	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids	3-Caffeoylquinic acid	CWVRJTMFETXNAD-DUXPYHPUSA-N		chlorogenic acid	354.3087	3.44e+00 g/l	0.17	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
Pyrogallol	PHUB000632	126.031694058	C₆H₆O₃	Polyphenols	Phenolic acids	Miscellaneous phenolic acids	1,2,3-Benzenetriol; 1,2,3-Trihydroxybenzene; 1,2,3-trihydroxyphenol; Pyrogallic acid	WQGWDDDVZFFDIG-UHFFFAOYSA-N		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 / Blueberry / Carrot / Cider / Coffee / German camomile / Mango / Papaya / Pepper C. annuum / 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			Show Entry
Schottenol ferulate	PHUB000635	590.433510348	C₃₉H₅₈O₄	Polyphenols	Phenolic acids	Hydroxycinnamic acids		BGOCOVGWMXAQCQ-SOUZALBCSA-N		(2R,5R,7R,14S,15S)-14-[(2S,5S)-5-ethyl-6-methylheptan-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	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	Cranberry / 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	Polyphenols	Phenolic acids	Hydroxycinnamic acids		RAKOKKNCCBUUMP-NHOMJVMZSA-N		(2R,5R,7R,14S,15S)-14-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]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
Sitosterol ferulate	PHUB000641	590.433510348	C₃₉H₅₈O₄	Polyphenols	Phenolic acids	Hydroxycinnamic acids		ROUSJNZGMHNWOS-DJDOGRMVSA-N		(1R,2S,5R,10R,11R,14S,15S)-14-[(2S,5S)-5-ethyl-6-methylheptan-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	590.889	7.34e-06 g/l	8.42	0.0			Show Entry
Stigmastanol ferulate	PHUB000642	592.449160412	C₃₉H₆₀O₄	Polyphenols	Phenolic acids	Hydroxycinnamic acids		RAKOKKNCCBUUMP-NHOMJVMZSA-N		(2R,5R,7R,14S,15S)-14-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]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	4-Hydroxy-3-methoxy-benzoic aldehyde; Methylprotocatechuic aldehyde; p-Vanillin; Vanillic aldehyde	MWOOGOJBHIARFG-UHFFFAOYSA-N		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			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			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			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			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			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			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			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		Quercetin / Quercetin 4'-O-glucoside	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			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		(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			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	Broccoli / Common cabbage	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			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			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			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	Apricot		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			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	Black tea / Blackcurrant / Broccoli / Common bean / Common cabbage / Garlic / Red chili / Red wine	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			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			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			Show Entry
Quercetin	PHUB000702	302.042652674	C₁₅H₁₀O₇	Polyphenols	Flavonoids	Flavonols	3,5,7,3',4'-Pentahydroxyflavone	REFJWTPEDVJJIY-UHFFFAOYSA-N		quercetin	302.2357	2.61e-01 g/l	1.81	0.0		Benzoic acid / Protocatechuic acid / 4-Ethylphenol / Isorhamnetin / Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / 3-(4'-Hydroxyphenyl)propionic 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 / Quercetin diglucuronide / Methylquercetin diglucuronide / Quercetin glucuronide sulfate / Isorhamnetin 4'-O-glucuronide / Quercetin 3'-sulfate / Quercetin 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		Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / Quercetin 3'-O-glucuronide / Quercetin diglucuronide / Quercetin glucuronide sulfate / Quercetin 3'-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			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			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		miquelianin	478.3598	2.40e+00 g/l	1.37	0.0		Quercetin / Quercetin 3,4'-O-diglucoside / Quercetin 4'-O-glucoside	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-&gt	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			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			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			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			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	Apple		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	Apricot		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			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			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			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		Isorhamnetin / Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / Quercetin 3'-O-glucuronide / Tamarixetin / Quercetin diglucuronide / Quercetin glucose glucuronide / Quercetin glucuronide sulfate / Quercetin 3'-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			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			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			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			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			Show Entry
Punicalagin A	PHUB000741	1084.066539556	C₄₈H₂₈O₃₀	Polyphenols	Ellagitannins	Not Available		ZJVUMAFASBFUBG-UHFFFAOYSA-N		6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.0⁴,⁹.0¹⁰,¹⁹.0¹³,¹⁸.0¹⁶,²⁵.0¹⁷,²².0²⁶,³¹.0³⁸,⁵⁵.0⁴¹,⁴⁶.0⁴⁷,⁵²]pentapentaconta-4(9),5,7,10,12,16(25),17(22),18,23,26(31),27,29,41,43,45,47(52),48,50-octadecaene-3,15,20,32,40,53-hexone	1084.7179	2.06e+00 g/l	3.24	0.0			Show Entry
Punicalagin B	PHUB000742	1084.066539556	C₄₈H₂₈O₃₀	Polyphenols	Ellagitannins	Not Available		ZJVUMAFASBFUBG-UHFFFAOYSA-N		6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.0⁴,⁹.0¹⁰,¹⁹.0¹³,¹⁸.0¹⁶,²⁵.0¹⁷,²².0²⁶,³¹.0³⁸,⁵⁵.0⁴¹,⁴⁶.0⁴⁷,⁵²]pentapentaconta-4(9),5,7,10,12,16(25),17(22),18,23,26(31),27,29,41,43,45,47(52),48,50-octadecaene-3,15,20,32,40,53-hexone	1084.7179	2.06e+00 g/l	3.24	0.0			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			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			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	Garden onion / Garlic		Show Entry
Alliin	PHUB000754	177.045963913	C₆H₁₁NO₃S	Miscellaneous phytochemicals	Thiosulfinates	Not Available	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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden 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 / Garden onion / Leek / 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	Thiopropanal S-oxide	BAZSXBOAXJLRNH-UHFFFAOYSA-N		propanethial, S-oxide	90.144	6.42e+01 g/l	-0.15	0.0	Garden 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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden onion / Garlic		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	Garden 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		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
Serotonine	PHUB000782	176.094963016	C₁₀H₁₂N₂O	N-containing compounds	Amines	Not Available	5-HT; 5-Hydroxytryptamine	QZAYGJVTTNCVMB-UHFFFAOYSA-N		serotonin	176.2151	2.50e+00 g/l	0.56	0.0	Banana / Grape / Peach / Pineapple	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			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			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 / Blackcurrant / Chocolate / Cocoa bean / Coffee / European plum / guarana / Lemon / mate / Sweet cherry / 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 / 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 / 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	Broad bean / momordica charencia		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		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			Show Entry
4-Methoxyglucobrassicin	PHUB000797	477.064310812	C₁₇H₂₁N₂O₁₀S₂	N-containing compounds	Glucosinolates	Not Available		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			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			Show Entry
Glucoberteroin	PHUB000799	434.061868459	C₁₃H₂₄NO₉S₃	N-containing compounds	Glucosinolates	Not Available	5-(Methylthio)pentylglucosinolate	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			Show Entry
Glucobrassicanapin	PHUB000800	386.058497156	C₁₂H₂₀NO₉S₂	N-containing compounds	Glucosinolates	Not Available	4-Pentenylglucosinolate	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			Show Entry
Glucobrassicin	PHUB000801	447.053746128	C₁₆H₁₉N₂O₉S₂	N-containing compounds	Glucosinolates	Not Available	Indol-3-ylmethylglucosinolate	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			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			Show Entry
Glucocheirolin	PHUB000803	438.02039757	C₁₁H₂₀NO₁₁S₃	N-containing compounds	Glucosinolates	Not Available	3-(Methylsulfonyl)propylglucosinolate	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	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			Show Entry
Glucoerysolin	PHUB000806	452.036047634	C₁₂H₂₂NO₁₁S₃	N-containing compounds	Glucosinolates	Not Available	4-(Methylsulfonyl)butylglucosinolate	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	PHYYADMVYQURSX-VKXZSDEGSA-M		(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			Show Entry
Glucoiberverin	PHUB000808	406.03056833	C₁₁H₂₀NO₉S₃	N-containing compounds	Glucosinolates	Not Available	3-(Methylthio)propylglucosinolate	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			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	But-3-enylglucosinolate	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			Show Entry
Gluconapoleiferin	PHUB000811	402.053411776	C₁₂H₂₀NO₁₀S₂	N-containing compounds	Glucosinolates	Not Available	2-Hydroxypent-4-enylglucosinolate	ZEGLQSKFSKZGRO-GAQZTCCMSA-M		(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			Show Entry
Gluconasturtiin	PHUB000812	422.058497156	C₁₅H₂₀NO₉S₂	N-containing compounds	Glucosinolates	Not Available	2-Phenylethylglucosinolate	CKIJIGYDFNXSET-ZANVAWHUSA-M		(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			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			Show Entry
Glucoraphanin	PHUB000814	436.041133014	C₁₂H₂₂NO₁₀S₃	N-containing compounds	Glucosinolates	Not Available	4-(Methylsulfinyl)butylglucosinolate	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			Show Entry
Glucoraphenin	PHUB000815	434.02548295	C₁₂H₂₀NO₁₀S₃	N-containing compounds	Glucosinolates	Not Available	4-(Methylsulfinyl)but-3-enylglucosinolate	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			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			Show Entry
Neoglucobrassicin	PHUB000817	477.064310812	C₁₇H₂₁N₂O₁₀S₂	N-containing compounds	Glucosinolates	Not Available	1-Methoxy-3-indolylmethylglucosinolate	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			Show Entry
Progoitrin	PHUB000818	388.037761712	C₁₁H₁₈NO₁₀S₂	N-containing compounds	Glucosinolates	Not Available		MYHSVHWQEVDFQT-ZCXQZIKDSA-M		(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			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			Show Entry
Sinigrin	PHUB000820	358.027197027	C₁₀H₁₆NO₉S₂	N-containing compounds	Glucosinolates	Not Available	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			Show Entry
Sulforaphane	PHUB000821	177.028205359	C₆H₁₁NOS₂	N-containing compounds	Isothiocyanates	Not Available	4-Methylsulfinyl butyl isothiocyanate	SUVMJBTUFCVSAD-UHFFFAOYSA-N		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	AITC	ZOJBYZNEUISWFT-UHFFFAOYSA-N		allyl isothiocyanate	99.154	3.21e-01 g/l	1.90	0.0			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			Show Entry
Phenethyl isothiocyanate	PHUB000824	163.045569983	C₉H₉NS	N-containing compounds	Isothiocyanates	Not Available	PEITC	IZJDOKYDEWTZSO-UHFFFAOYSA-N		phenethyl isothiocyanate	163.239	2.77e-02 g/l	3.41	0.0			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	lupin white		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		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			Show Entry
Stachydrine	PHUB000844	143.094628665	C₇H₁₃NO₂	N-containing compounds	Alkaloids	Pyrrolidine and piperidine alkaloids	Cadabine; Proline betaine	CMUNUTVVOOHQPW-LURJTMIESA-N		stachydrine	143.1836	6.66e-01 g/l	-2.24	0.0			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-SIUCFGLGSA-N		(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol	1032.184	1.82e+00 g/l	-0.09	0.0			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			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			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	Garden tomato / 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			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			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	Garden tomato		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			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			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			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			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		luteolin	286.2363	1.38e-01 g/l	2.73	0.0			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			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			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			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			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-2,6-octadien-1,8-dioic acid	PHUB000932	198.089208931	C₁₀H₁₄O₄	Terpenoids	Sesquiterpenoids	Not Available		IUBQEOXMIZDLSO-ZCOYIIAOSA-N		(2E,6E)-2,6-dimethylocta-2,6-dienedioic acid	198.218	7.91e-01 g/l	1.59	0.0		Farnesol	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-YFEBDHGLSA-N		(2R,3R,4S,5S,6R)-2-{[(2R,5S,7R,8S,10R,11R,14S,16R)-5,16-dihydroxy-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]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[8.7.0.0²,⁷.0¹¹,¹⁵]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-TTWOHQMCSA-N		(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(2R)-6-methyl-2-[(2R,8R,11R,14S,15R,16S)-5,8,16-trihydroxy-2,6,6,11,14-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]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	476.386560154	C₃₀H₅₂O₄	Terpenoids	Triterpenoids	Saponins		SHCBCKBYTHZQGZ-DLHMIPLTSA-N		protopanaxatriol	476.742	1.57e-02 g/l	4.21	0.0		Ginsenoside Re	Show Entry
Camphene metabolite 1	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 metabolite 2	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-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		BAVONGHXFVOKBV-UHFFFAOYSA-N		carveol	152.237	2.82e+00 g/l	2.41	0.0		Carvone	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 1	PHUB000976	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	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		Cuminaldehyde	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		Cymene-p	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		Cymene-p	Show Entry
Carveol (trans-)	PHUB000989	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Not Available	p-Mentha-1,8-dien-6-ol	BAVONGHXFVOKBV-UHFFFAOYSA-N		carveol	152.237	2.82e+00 g/l	2.41	0.0		Limonene	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	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 3	PHUB001024	166.099379691	C₁₀H₁₄O₂	Terpenoids	Monoterpenoids	Not Available		CDSMSBUVCWHORP-UHFFFAOYSA-N		perillic acid	166.22	1.63e+00 g/l	2.47	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	Flavonoids	Flavanols		JQLZOEMUAPKUFX-PYPAOAIXSA-N		3,4,6-trihydroxy-5-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid	466.395	2.83e+00 g/l	0.04	0.0		(-)-Epicatechin	Show Entry
(-)-Epicatechin 3'-O-sulfate	PHUB001030	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	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	Flavonoids	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	Flavonoids	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 sulfate	PHUB001036	370.335352	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	Flavanols					370.035857			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	Show Entry
3-(3'-Hydroxyphenyl)propionic acid	PHUB001047	166.062994186	C₉H₁₀O₃	Polyphenols	Flavonoids	Flavanols		QVWAEZJXDYOKEH-UHFFFAOYSA-N		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 / Chlorogenic acid / Dihydrocaffeic acid / Ferulic acid	Show Entry
3'-Hydroxyphenylacetic acid	PHUB001048	152.047344122	C₈H₈O₃	Polyphenols	Flavonoids	Flavanols		FVMDYYGIDFPZAX-UHFFFAOYSA-N		3-hydroxyphenylacetic acid	152.1473	6.98e+00 g/l	0.93	0.0		(-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2 / 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	Flavonoids	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		(-)-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		(-)-Epicatechin / Procyanidin dimer B2	Show Entry
5-(3'-hydroxyphenyl)-gama-valerolactone	PHUB001062	192.078644246	C₁₁H₁₂O₃	Polyphenols	Flavonoids	Flavanols		VYWFHBSBNKNWSB-UHFFFAOYSA-N		5-[(3-hydroxyphenyl)methyl]oxolan-2-one	192.214	1.14e+00 g/l	1.78	0.0		(-)-Epicatechin	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	Flavonoids	Flavanols		WLJVXDMOQOGPHL-UHFFFAOYSA-N		ω-phenylacetic acid	136.1479	3.61e+00 g/l	1.72	0.0		(-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2	Show Entry
3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid	PHUB001069	212.068473486	C₁₀H₁₂O₅	Polyphenols	Flavonoids	Flavanones		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
3-(3'-Hydroxy-4-methoxyphenyl)propionic acid	PHUB001070	196.073558866	C₁₀H₁₂O₄	Polyphenols	Flavonoids	Flavanones	Dihydroisoferulic acid	ZVIJTQFTLXXGJA-UHFFFAOYSA-N		3-(3-hydroxy-4-methoxyphenyl)propanoic acid	196.202	1.33e+00 g/l	1.04	0.0			Show Entry
3-(4'-Hydroxyphenyl)propionic acid	PHUB001072	166.062994186	C₉H₁₀O₃	Polyphenols	Flavonoids	Flavanones		NMHMNPHRMNGLLB-UHFFFAOYSA-N		hydroxyphenyl propionic acid	166.1739	2.71e+00 g/l	1.15	0.0		Naringenin / Naringin / Coumaric acid (p-) / Ferulic acid / Quercetin	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	Flavonoids	Flavanones		XMIIGOLPHOKFCH-UHFFFAOYSA-N		3-phenylpropionic acid	150.1745	1.70e+00 g/l	1.84	0.0		Procyanidin dimer A2 / Naringenin / Naringin / 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	Flavonoids	Flavanones	1,3,5-trihydroxyphenol	QCDYQQDYXPDABM-UHFFFAOYSA-N		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	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Flavonols		LBJLXDMWOKJIPQ-UHFFFAOYSA-N		3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid	478.362	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-UHFFFAOYSA-N		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-UHFFFAOYSA-N		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	Phenolic acids	Miscellaneous phenolic acids	3'-Hydroxyhippuric acid	ZMHLUFWWWPBTIU-UHFFFAOYSA-N		[(4-hydroxyphenyl)formamido]acetic acid	195.1721	2.63e+00 g/l	0.44	0.0		(-)-Epicatechin / Caffeic acid / Chlorogenic acid / Coumaric acid (m-) / Orange flavanones	Show Entry
Caffeic acid glucuronide	PHUB001164	356.2862195	C₁₅H₁₆O₁₀	Polyphenols	Phenolic acids	Hydroxycinnamic acids					356.07435			0.0		Caffeic acid	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		BOLQJTPHPSDZHR-UHFFFAOYSA-N		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 glucuronide	PHUB001170	370.3132083	C₁₆H₁₈O₁₀	Polyphenols	Phenolic acids	Hydroxycinnamic acids					370.09			0.0		Caffeic acid / Ferulic acid	Show Entry
Ferulic acid sulfate	PHUB001171	274.2496535	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Hydroxycinnamic acids					274.014727			0.0		Caffeic acid / Dihydrocaffeic acid / Ferulic 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	Phenolic acids	Hydroxycinnamic acids		QIAFMBKCNZACKA-UHFFFAOYSA-N		hippuric acid	179.1727	1.18e+00 g/l	0.23	0.0		(-)-Epicatechin / Cyanidin 3-O-glucoside / Caffeic acid / Chlorogenic 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
Hydroxyphenylpropionic acid	PHUB001177	166.1770068	C₉H₁₀O₃	Polyphenols	Phenolic acids	Hydroxycinnamic acids					166.062995			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 glucuronide (p-)	PHUB001198	340.2869145	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	Hydroxycinnamic acids	4-Hydroxycinnamic acid glucuronide				340.079435			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
Hydroxybenzoic acid (p-)	PHUB001202	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Hydroxycinnamic acids	4-Hydroxybenzoic acid	FJKROLUGYXJWQN-UHFFFAOYSA-N		P-hydroxybenzoic acid	138.122	1.19e+01 g/l	1.58	0.0		Coumaric acid (p-) / Ferulic acid	Show Entry
Dihydrocaffeic acid 3-O-glucuronide	PHUB001204	358.08999678	C₁₅H₁₈O₁₀	Polyphenols	Phenolic acids	Hydroxycinnamic acids	3,4-Dihydroxyphenylpropionic acid 3-O-glucuronide	AELQNMHOLDHBFA-VVSAWPALSA-N		(2R,3R,4R,5S,6R)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	358.299	8.41e+00 g/l	-0.09	0.0		Dihydrocaffeic acid	Show Entry
Dihydrocaffeic acid 4-O-glucuronide	PHUB001205	358.08999678	C₁₅H₁₈O₁₀	Polyphenols	Phenolic acids	Hydroxycinnamic acids	3,4-Dihydroxyphenylpropionic acid 4-O-glucuronide	DUTJMLCURMYWCW-HXMBFPRCSA-N		(2S,3S,4S,5R)-6-[4-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	358.299	7.58e+00 g/l	-0.05	0.0		Dihydrocaffeic acid	Show Entry
Dihydrocaffeic acid sulfate	PHUB001206	262.2386166	C₉H₁₀O₇S	Polyphenols	Phenolic acids	Hydroxycinnamic acids					262.014727			0.0		Dihydrocaffeic acid	Show Entry
Dihydroferulic acid sulfate	PHUB001208	276.2656054	C₁₀H₁₂O₇S	Polyphenols	Phenolic acids	Hydroxycinnamic acids					276.030377			0.0		Dihydrocaffeic acid	Show Entry
Isoferulic acid sulfate	PHUB001212	274.2496535	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Hydroxycinnamic acids					274.014727			0.0		Dihydrocaffeic acid	Show Entry
3,4-Dihydroxybenzoic acid	PHUB001216	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Hydroxycinnamic acids		YQUVCSBJEUQKSH-UHFFFAOYSA-N		3,4-dihydroxybenzoic acid	154.121	1.24e+01 g/l	1.32	0.0		Ferulic acid	Show Entry
3,4-Dimethoxybenzoic acid	PHUB001218	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Hydroxycinnamic acids		DAUAQNGYDSHRET-UHFFFAOYSA-N		veratric acid	182.1733	1.64e+00 g/l	1.52	0.0		Ferulic acid	Show Entry
3',4'-Dihydroxyphenylacetic acid	PHUB001234	168.042258744	C₈H₈O₄	Polyphenols	Flavonoids	Flavanols	2-(3',4'-Dihydroxyphenyl)acetic acid	CFFZDZCDUFSOFZ-UHFFFAOYSA-N		3,4 dihydroxyphenylacetic acid	168.1467	7.23e+00 g/l	0.93	0.0		Procyanidin dimer A2	Show Entry
4'-Hydroxyphenylacetic acid	PHUB001237	152.047344122	C₈H₈O₃	Polyphenols	Flavonoids	Flavanols	2-(4'-Hydroxyphenyl)acetic acid	XQXPVVBIMDBYFF-UHFFFAOYSA-N		4-hydroxyphenylacetic acid	152.1473	7.12e+00 g/l	0.93	0.0		Procyanidin dimer A2 / Orange flavanones	Show Entry
(Epi)catechin	PHUB001241	290.07903818	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Flavanols		PFTAWBLQPZVEMU-UHFFFAOYSA-N		(-)-catechol	290.2681	6.45e-01 g/l	1.02	0.0		Procyanidin dimer B2 / Procyanidin dimer B5	Show Entry
5-(3'-Hydroxyphenyl)-gamma-valerolactone	PHUB001249	192.078644246	C₁₁H₁₂O₃	Polyphenols	Flavonoids	Flavanols		VYWFHBSBNKNWSB-UHFFFAOYSA-N		5-[(3-hydroxyphenyl)methyl]oxolan-2-one	192.214	1.14e+00 g/l	1.78	0.0		Procyanidin dimer B2	Show Entry
Hydroxyprocyanidin B2	PHUB001251	594.5294478	C₃₀H₂₆O₁₃	Polyphenols	Flavonoids	Flavanols					594.137345			0.0		Procyanidin dimer B2	Show Entry
3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid	PHUB001254	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Anthocyanins		CXNFDJSOAJNKSU-ACQMTVLSSA-N		(3S,4S,5R,6R)-6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	330.245	1.59e+01 g/l	-0.12	0.0		Cyanidin / Cyanidin 3-O-glucoside / Pelargonidin / Pelargonidin 3-O-glucoside	Show Entry
4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid	PHUB001255	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Anthocyanins		NLCBCVGRBFNEJE-ACQMTVLSSA-N		(3S,4S,5R,6R)-6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	330.245	1.50e+01 g/l	-0.06	0.0		Cyanidin / Cyanidin 3-O-glucoside / Pelargonidin / Pelargonidin 3-O-glucoside	Show Entry
4-(1-Carboxyphenyl)beta-D-glucuronic acid	PHUB001256	314.063782031	C₁₃H₁₄O₉	Polyphenols	Flavonoids	Anthocyanins		DKNOHNCMCYDVLT-ACQMTVLSSA-N		(3S,4S,5R,6R)-6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	314.246	1.14e+01 g/l	-0.56	0.0		Cyanidin / Cyanidin 3-O-glucoside / Pelargonidin / Pelargonidin 3-O-glucoside	Show Entry
Peonidin 3-glucoside	PHUB001257	463.123487981	C₂₂H₂₃O₁₁	Polyphenols	Flavonoids	Anthocyanins	3'-Methylcyanidin 3-glucoside	ZZWPMFROUHHAKY-OTVISBKVSA-O		5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium	463.414	4.18e-01 g/l	1.18	0.0		Cyanidin 3,5-O-diglucoside / Cyanidin 3-O-glucoside	Show Entry
2-Hydroxy-4-methoxybenzoic acid	PHUB001258	168.042258744	C₈H₈O₄	Polyphenols	Flavonoids	Anthocyanins		MRIXVKKOHPQOFK-UHFFFAOYSA-N		2-hydroxy-4-methoxybenzoic acid	168.1467	3.47e+00 g/l	1.82	0.0		Cyanidin 3-O-glucoside	Show Entry
3,4-Dihydroxybenzaldehyde	PHUB001260	138.031694058	C₇H₆O₃	Polyphenols	Flavonoids	Anthocyanins		IBGBGRVKPALMCQ-UHFFFAOYSA-N		3,4-dihydroxybenzaldehyde	138.1207	1.43e+01 g/l	0.89	0.0		Cyanidin 3-O-glucoside	Show Entry
4-Methoxybenzaldehyde	PHUB001268	136.0524295	C₈H₈O₂	Polyphenols	Flavonoids	Anthocyanins		ZRSNZINYAWTAHE-UHFFFAOYSA-N		anisaldehyde	136.1479	1.71e+00 g/l	1.64	0.0		Cyanidin 3-O-glucoside	Show Entry
Cyanidin 3-glucoside glucuronide	PHUB001270	639.5444741	C₂₈H₃₁O₁₇	Polyphenols	Flavonoids	Anthocyanins					639.15613			0.0		Cyanidin 3-O-glucoside	Show Entry
Cyanidin glucuronide	PHUB001271	477.4019678	C₂₂H₂₁O₁₂	Polyphenols	Flavonoids	Anthocyanins					477.103305			0.0		Cyanidin 3-O-glucoside	Show Entry
Isopeonidin 3-glucoside	PHUB001274	463.123487981	C₂₂H₂₃O₁₁	Polyphenols	Flavonoids	Anthocyanins	4'-Methylcyanidin 3-glucoside	CNTWHHYMFNSRNJ-OTVISBKVSA-O		5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium	463.414	4.29e-01 g/l	1.19	0.0		Cyanidin 3-O-glucoside	Show Entry
Isopeonidin glucuronide	PHUB001275	491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Anthocyanins	4'-Methylcyanidin monoglucuronide				491.118955			0.0		Cyanidin 3-O-glucoside	Show Entry
Isovanillic acid	PHUB001276	168.042258744	C₈H₈O₄	Polyphenols	Flavonoids	Anthocyanins		LBKFGYZQBSGRHY-UHFFFAOYSA-N		isovanillic acid	168.1467	4.42e+00 g/l	1.81	0.0		Cyanidin 3-O-glucoside	Show Entry
Isovanillic acid 3-O-glucuronide	PHUB001277	344.074346715	C₁₄H₁₆O₁₀	Polyphenols	Flavonoids	Anthocyanins		WREVRVHLTSYMIJ-UHFFFAOYSA-N		6-(5-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	344.272	9.87e+00 g/l	-0.65	0.0		Cyanidin 3-O-glucoside	Show Entry
Isovanillic acid 3-O-sulfate	PHUB001278	247.999073772	C₈H₈O₇S	Polyphenols	Flavonoids	Anthocyanins		VSFFJSSUGMYRMP-UHFFFAOYSA-N		4-methoxy-3-(sulfooxy)benzoic acid	248.21	2.13e+00 g/l	-0.73	0.0		Cyanidin 3-O-glucoside	Show Entry
Methyl-3,4-dihydroxybenzoate	PHUB001279	168.042258738	C₈H₈O₄	Polyphenols	Flavonoids	Anthocyanins		CUFLZUDASVUNOE-UHFFFAOYSA-N		methyl 3,4-dihydroxybenzoate	168.148	5.44e+00 g/l	1.40	0.0		Cyanidin 3-O-glucoside	Show Entry
Methylcyanidin 3-glucoside-glucuronide	PHUB001280	653.5714628	C₂₉H₃₃O₁₇	Polyphenols	Flavonoids	Anthocyanins					653.17178			0.0		Cyanidin 3-O-glucoside	Show Entry
Methylcyanidin glucuronide	PHUB001281	491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Anthocyanins					491.118955			0.0		Cyanidin 3-O-glucoside	Show Entry
Methylvanillate	PHUB001282	182.057908808	C₉H₁₀O₄	Polyphenols	Flavonoids	Anthocyanins		BVWTXUYLKBHMOX-UHFFFAOYSA-N		vanillate	182.1733	3.57e+00 g/l	2.12	0.0		Cyanidin 3-O-glucoside	Show Entry
Peonidin 3-glucoside glucuronide	PHUB001284	653.5714628	C₂₉H₃₃O₁₇	Polyphenols	Flavonoids	Anthocyanins	3'-Methylcyanidin 3-glucoside glucuronide				653.17178			0.0		Cyanidin 3-O-glucoside	Show Entry
Peonidin glucuronide	PHUB001285	491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Anthocyanins	3'-Methylcyanidin glucuronide				491.118955			0.0		Cyanidin 3-O-glucoside	Show Entry
Phloroglucinaldehyde	PHUB001286	154.026608673	C₇H₆O₄	Polyphenols	Flavonoids	Anthocyanins		BTQAJGSMXCDDAJ-UHFFFAOYSA-N		2,4,6-trihydroxybenzaldehyde	154.121	8.00e+00 g/l	0.70	0.0		Cyanidin 3-O-glucoside	Show Entry
Protocatechuic acid 3-O-glucuronide	PHUB001288	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Anthocyanins		CXNFDJSOAJNKSU-UHFFFAOYSA-N		6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	330.245	1.59e+01 g/l	-0.12	0.0		Cyanidin 3-O-glucoside	Show Entry
Protocatechuic acid 3-O-sulfate	PHUB001289	233.983423707	C₇H₆O₇S	Polyphenols	Flavonoids	Anthocyanins		GSFKEOSQCKWCLH-UHFFFAOYSA-N		4-hydroxy-3-(sulfooxy)benzoic acid	234.18	3.06e+00 g/l	-0.71	0.0		Cyanidin 3-O-glucoside	Show Entry
Protocatechuic acid 4-O-glucuronide	PHUB001290	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Anthocyanins		NLCBCVGRBFNEJE-UHFFFAOYSA-N		6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	330.245	1.50e+01 g/l	-0.06	0.0		Cyanidin 3-O-glucoside	Show Entry
Protocatechuic acid 4-O-sulfate	PHUB001291	233.983423707	C₇H₆O₇S	Polyphenols	Flavonoids	Anthocyanins		NGQYUDIZIPNWJV-UHFFFAOYSA-N		3-hydroxy-4-(sulfooxy)benzoic acid	234.18	3.04e+00 g/l	-0.74	0.0		Cyanidin 3-O-glucoside	Show Entry
Vanillic acid 4-O-glucuronide	PHUB001293	342.09508216	C₁₅H₁₈O₉	Polyphenols	Flavonoids	Anthocyanins		MBNPZIKKKDDLLL-UHFFFAOYSA-N		6-(4-carboxy-2-methoxyphenoxy)-3,4-dihydroxy-5-methyloxane-2-carboxylic acid	342.3	5.44e+00 g/l	1.13	0.0		Cyanidin 3-O-glucoside	Show Entry
Vanillic acid 4-O-sulfate	PHUB001294	247.9990733	C₈H₈O₇S	Polyphenols	Flavonoids	Anthocyanins		TXRKUXPAEPOCIX-UHFFFAOYSA-N		3-methoxy-4-(sulfooxy)benzoic acid	248.21	2.38e+00 g/l	-0.77	0.0		Cyanidin 3-O-glucoside	Show Entry
Isopeonidin 3-rutinoside	PHUB001295	609.181396783	C₂₈H₃₃O₁₅	Polyphenols	Flavonoids	Anthocyanins	4'-Methylcyanidin 3-rutinoside	CLKYQBTVJZYKOK-JEHDHEKGSA-O		5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-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	609.556	7.38e-01 g/l	0.79	0.0		Cyanidin 3-O-rutinoside	Show Entry
Peonidin 3-rutinoside	PHUB001296	609.181396783	C₂₈H₃₃O₁₅	Polyphenols	Flavonoids	Anthocyanins	3'-Methylcyanidin 3-rutinoside	ONQVTPMFYSRRLL-JEHDHEKGSA-O		5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-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	609.556	7.21e-01 g/l	0.77	0.0		Cyanidin 3-O-rutinoside	Show Entry
Pelargonidin glucuronide	PHUB001303	461.4026627	C₂₂H₂₁O₁₁	Polyphenols	Flavonoids	Anthocyanins					461.10839			0.0		Pelargonidin 3-O-glucoside	Show Entry
Pelargonidin sulfate	PHUB001304	351.3121191	C₁₅H₁₁O₈S	Polyphenols	Flavonoids	Anthocyanins					351.017467			0.0		Pelargonidin 3-O-glucoside	Show Entry
Hydroquinone	PHUB001307	110.036779436	C₆H₆O₂	Not Avail