Chemical NameIdentifierMonoisotopic massFormulaFamilyClassSubclassSynonymsStructureInchikeyCas numberIUPAC NameAverage massSolubilityPredicted logPpKaFood sourcesMetabolites / Precursor
16-O-Methylcafestol PHUB000001330.219494826C21H30O3TerpenoidsDiterpenoidsNot AvailableBDVVNPOGDNWUOI-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]methanol330.4687.30e-03 g/l3.640.0Robusta coffeeShow Entry
3'-O-beta-D-glucopyranosyl-2'-O-isovaleryl-2beta-(2-desoxy-atractyligenin)-beta-D-glucopyranoside PHUB000002728.361921103C36H56O15TerpenoidsDiterpenoidsNot AvailableDOYDQNQLCHBFDK-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 acid728.8291.16e+00 g/l-0.080.0CoffeeShow Entry
Atractyligenin PHUB000003320.198759382C19H28O4TerpenoidsDiterpenoidsNot AvailableYRHWUYVCCPXYMB-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 acid320.4297.44e-01 g/l1.800.0CoffeeShow Entry
Atractyligenin (2-O-beta-glucopyranosyl-) PHUB000004480.272318248C26H40O8TerpenoidsDiterpenoidsNot AvailableYEAZCNLETNYACR-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 acid480.5981.02e+00 g/l0.460.0CoffeeShow Entry
Atractyloside PHUB000005724.208174845C30H44O16S2TerpenoidsDiterpenoidsNot AvailableFYQXODZRNSCOTR-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 sulfate724.799.46e-01 g/l0.710.0CoffeeShow Entry
Cafestol PHUB000006316.203844762C20H28O3TerpenoidsDiterpenoidsNot AvailableCafesterolDNJVYWXIDISQRD-JTSSGKSMSA-Ncafestol316.4411.80e-02 g/l3.040.0CoffeeCafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate) / Cafestol (2-hydroxy-) / Cafestol (2-hydroxy-,3,4-epoxide) / Cafestol glucuronide / Cafestol sulfateShow Entry
Carboxyatractyloside PHUB000007768.198004085C31H44O18S2TerpenoidsDiterpenoidsNot AvailableAQFATIOBERWBDY-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-dicarboxylate768.81.62e+00 g/l-0.140.0CoffeeShow Entry
Carnosol PHUB000008330.183109317C20H26O4TerpenoidsDiterpenoidsNot AvailableXUSYGBPHQBWGAD-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-one330.4243.95e-02 g/l4.350.0Common sage / RosemaryShow Entry
Ineketone PHUB000009318.219494826C20H30O3TerpenoidsDiterpenoidsNot AvailableBWRPYSJNBVBIRP-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-one318.4574.91e-02 g/l2.710.0RiceShow Entry
Kahweol PHUB000010314.188194697C20H26O3TerpenoidsDiterpenoidsNot AvailableJEKMKNDURXDJAD-HWUKTEKMSA-Nkahweol314.4252.01e-02 g/l2.970.0CoffeeKahweol glucuronide / Kahweol sulfateShow Entry
Asparagoside A PHUB000011578.381868699C33H54O8TerpenoidsMiscellaneous terpenoidsSaponins(3beta,5beta,25S)-Spirostan-3-yl beta-D-glucopyranoside; Sarsasaponin monoglucosideZNEIIZNXGCIAAL-TXUJEBAWSA-Nasparagoside A578.7875.50e-03 g/l2.790.0AsparagusShow Entry
Betulin PHUB000012442.38108085C30H50O2TerpenoidsMiscellaneous terpenoidsNot AvailableFVWJYYTZTCVBKE-ROUWMTJPSA-Nbetulin442.7283.21e-04 g/l5.340.0Broad bean / Common hazelnutShow Entry
Capsicoside A PHUB0000131422.651465113C63H106O35TerpenoidsMiscellaneous terpenoidsSaponinsWUSQCDWYDVFLMN-CIHABUNJSA-Ncapsicoside A1423.5061.59e+01 g/l-1.700.0Paprika / Pepper C. annuumShow Entry
Cucurbitacin C PHUB000014560.334918506C32H48O8TerpenoidsMiscellaneous terpenoidsNot AvailableDGIGXLXLGBAJJN-TUOUHCSQSA-Ncucurbitacin C560.7281.07e-02 g/l3.190.0CucumberShow Entry
Nuatigenin PHUB000015430.308309832C27H42O4TerpenoidsMiscellaneous terpenoidsSaponinsNELZMZLNTYWIPD-MLBSDYKWSA-Nnuatigenin430.6294.54e-03 g/l3.200.0OatShow Entry
Officinalisnin I PHUB000016920.498080227C45H76O19TerpenoidsMiscellaneous terpenoidsSaponinsSORUXVRKWOHYEO-YGNOLRTQSA-Nofficinalisnin I921.0847.46e-01 g/l-0.490.0AsparagusShow Entry
Sarsasapogenin PHUB000017416.329045277C27H44O3TerpenoidsMiscellaneous terpenoidsSaponinsParigeninGMBQZIIUCVWOCD-WWASVFFGSA-Nsarsasapogenin416.6463.28e-05 g/l4.520.0AsparagusShow Entry
Squalene PHUB000018410.39125161C30H50TerpenoidsMiscellaneous terpenoidsNot AvailableYYGNTYWPHWGJRM-AAJYLUCBSA-Nsqualene410.735.02e-04 g/l8.640.0Olive oil / Wheat germShow Entry
Trigonelloside C PHUB0000191048.545424345C51H84O22TerpenoidsMiscellaneous terpenoidsSaponinsAsparasaponin ILVTJOONKWUXEFR-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-triol1049.2118.96e-01 g/l-0.220.0FenugreekShow Entry
2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran PHUB000020154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableOcimen quintoxideLPEYLSKLVYWOEQ-UHFFFAOYSA-N5-(but-2-en-2-yl)-2,2-dimethyloxolane154.2534.38e-01 g/l3.820.0GrapeShow Entry
2-vinyl-2-methyl-tetrahydrofuran-5-one PHUB000021126.068079562C7H10O2TerpenoidsMonoterpenoidsNot AvailableQESPSAHXYXIGBG-UHFFFAOYSA-N5-ethenyl-5-methyloxolan-2-one126.1559.66e+00 g/l1.490.0Grape / Grape wineShow Entry
3,7-dimethyloct-1-en-3,6,7-triol PHUB000022188.141244504C10H20O3TerpenoidsMonoterpenoidsNot AvailableCNYFGLAROLNGDG-UHFFFAOYSA-N2,6-dimethyloct-7-ene-2,3,6-triol188.2672.96e+01 g/l0.510.0Grape / Grape wineShow Entry
3,7-dimethylocta-1,5-dien-3,7-diol PHUB000023170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableQEOHJVNDENHRCH-UHFFFAOYSA-N2,6-dimethylocta-3,7-diene-2,6-diol170.2522.32e+00 g/l1.620.0Grape / Grape wineShow Entry
3,7-dimethylocta-1,7-dien-3,6-diol PHUB000024170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableHZHJGFRDKJPQPV-UHFFFAOYSA-N2,6-dimethylocta-1,7-diene-3,6-diol170.2524.55e+00 g/l1.280.0Grape / Grape wineShow Entry
3,7-dimethylocta-1-en-3,7-diol PHUB000025172.146329884C10H20O2TerpenoidsMonoterpenoidsNot AvailableSRPFYGUVQUDURC-UHFFFAOYSA-N2,6-dimethyloct-7-ene-2,6-diol172.2683.28e+00 g/l1.650.0Grape / Grape wineShow Entry
Amarogentin PHUB000026586.168641026C29H30O13TerpenoidsMonoterpenoidsNot AvailableDBOVHQOUSDWAPQ-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-carboxylate586.5463.94e-01 g/l1.890.0GentianShow Entry
Camphene PHUB000027136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableCRPUJAZIXJMDBK-UHFFFAOYSA-Ncamphene136.2386.21e-02 g/l4.560.0RosemaryCamphene metabolite 1 / Camphene metabolite 2 / 6-Hydroxycamphene / 7-Hydroxycamphene / 3-Hydroxytricyclene / 10-hydroxytricycleneShow Entry
Camphor PHUB000028152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableBornan-2-one; Camphan-2-oneDSSYKIVIOFKYAU-XVKPBYJWSA-N(+-)-camphor152.2378.80e-01 g/l2.850.0Cinnamon / Common sage / RosemaryShow Entry
Carane PHUB000029138.14085058C10H18TerpenoidsMonoterpenoidsNot AvailableBWRHOYDPVJPXMF-UHFFFAOYSA-Ncarane138.2543.89e-03 g/l4.020.0CheeseCarane 9,10-dicarboxylic acidShow Entry
Carene PHUB000030136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableCar-3-ene; Carene (3-); Carene (delta-3-); IsodipreneKALFVDDBBPRATR-UHFFFAOYSA-Ncarene136.2381.78e-01 g/l4.170.0Grape wine / Mandarin orange (Clementine, Tangerine) / Pepperm-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 acidShow Entry
Carvacrol PHUB000031150.104465071C10H14OTerpenoidsMonoterpenoidsNot Available2-p-cymenol; IsothymolRECUKUPTGUEGMW-UHFFFAOYSA-Ncarvacrol150.2214.70e-01 g/l3.200.0Common oregano / Common thymeShow Entry
Carvomenthenol (4-) PHUB000032154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableTerpineol (4-)WRYLYDPHFGVWKC-SNVBAGLBSA-N(1S)-1-isopropyl-4-methylcyclohex-3-en-1-ol154.2532.50e+00 g/l2.810.0AppleShow Entry
Carvone   PHUB000033150.104465071C10H14OTerpenoidsMonoterpenoidsNot AvailableCarvolULDHMXUKGWMISQ-UHFFFAOYSA-Ncarvone150.2211.16e+00 g/l2.770.0Caraway / Dill / Mandarin orange (Clementine, Tangerine)Carveol / Carveol glucuronide / Dihydrocarveol / Carvonic acid / Dihydrocarvonic acid / UroterpenoloneShow Entry
Cineol (1,8-) PHUB000034154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableCajeputol; EucalyptolWEEGYLXZBRQIMU-UHFFFAOYSA-Neucalyptol154.2532.25e-02 g/l3.360.0Cardamom / Common sage / Nutmeg / Pepper / Rosemary / Sweet basil / Sweet bayShow Entry
Citronellal PHUB000035154.1357652C10H18OTerpenoidsMonoterpenoidsNot Available3,7-Dimethyloct-6-enalNEHNMFOYXAPHSD-UHFFFAOYSA-Ncitronella154.2533.59e-01 g/l3.250.0Grape / LemonShow Entry
Citronellol PHUB000036156.151415264C10H20OTerpenoidsMonoterpenoidsNot Available3,7-dimethyloct-6-en-1-olQMVPMAAFGQKVCJ-UHFFFAOYSA-Ncitronellol, (+-)-156.2698.46e-01 g/l3.480.0Grape / Mandarin orange (Clementine, Tangerine)Show Entry
Citronellyl acetate PHUB000037198.161979948C12H22O2TerpenoidsMonoterpenoidsNot Available3,7-Dimethyl-6-octen-1-yl acetateJOZKFWLRHCDGJA-UHFFFAOYSA-Ncitronellyl acetate198.3066.85e-02 g/l4.130.0Ginger / GrapeShow Entry
Cuminaldehyde PHUB000038148.088815006C10H12OTerpenoidsMonoterpenoidsNot AvailableCumaldehyde; CuminalWTWBUQJHJGUZCY-UHFFFAOYSA-Ncuminaldehyde148.2051.46e-01 g/l2.730.0CuminCuminaldehyde metabolite 1 / Cuminaldehyde metabolite 2 / Cuminaldehyde metabolite 3 / Cuminaldehyde metabolite 4 / Cuminaldehyde metabolite 5Show Entry
Cymene-p PHUB000039134.109550451C10H14TerpenoidsMonoterpenoidsNot AvailableCymene; Dolcymen; IsopropyltolueneHFPZCAJZSCWRBC-UHFFFAOYSA-Ncymene134.2221.69e-02 g/l4.170.0Common thyme / Grape wineCymen-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 PHUB000040190.1357652C13H18OTerpenoidsMonoterpenoidsNot Available(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one; DamascenonePOIARNZEYGURDG-FNORWQNLSA-Ndamascenone190.2861.91e-01 g/l4.020.0Apple / Grape / Grape wine / Lichee / PineappleShow Entry
Gentiopicrin PHUB000041356.110732224C16H20O9TerpenoidsMonoterpenoidsNot AvailableDUAGQYUORDTXOR-GPQRQXLASA-Ngentiopicroside356.3271.59e+01 g/l-1.010.0GentianShow Entry
Geranial PHUB000042152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableCitral A; Citral-transWTEVQBCEXWBHNA-JXMROGBWSA-Nα-citral152.2374.00e-01 g/l3.370.0Ginger / Grape / Grape wine / Lemon / Sweet orangeShow Entry
Geranic acid (trans-) PHUB000043168.115029755C10H16O2TerpenoidsMonoterpenoidsNot AvailableZHYZQXUYZJNEHD-VQHVLOKHSA-Ngeranic acid168.2361.22e+00 g/l2.720.0Grape / Grape wineShow Entry
Geraniol PHUB000044154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableGeraniol-beta; LemonolGLZPCOQZEFWAFX-JXMROGBWSA-Ngeraniol154.2531.37e+00 g/l2.890.0Grape / Grape wine / LicheeShow Entry
Geraniol (Hydroxy-) PHUB000045170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailablePREUOUJFXMCMSJ-TXFIJWAUSA-N8-hydroxygeraniol170.2523.04e+00 g/l1.620.0Grape / Grape wineShow Entry
Geranoate (trans-methyl) PHUB000046182.13067982C11H18O2TerpenoidsMonoterpenoidsNot AvailableACOBBFVLNKYODD-CSKARUKUSA-Nmethyl (2E)-3,7-dimethylocta-2,6-dienoate182.2633.76e-01 g/l3.670.0GrapeShow Entry
Geranyl acetate PHUB000047196.146329884C12H20O2TerpenoidsMonoterpenoidsNot AvailableHIGQPQRQIQDZMP-DHZHZOJOSA-Ngeranyl acetate196.291.90e-01 g/l4.110.0Grape / Grape wineShow Entry
Geranyl acetone PHUB000048194.167065328C13H22OTerpenoidsMonoterpenoidsNot AvailableHNZUNIKWNYHEJJ-FMIVXFBMSA-Ngeranylacetone194.3189.42e-02 g/l4.590.0AppleShow Entry
Hotrienol PHUB000049152.120115135C10H16OTerpenoidsMonoterpenoidsNot Available3,7-Dimethylocta-1,5,7-trien-3-olZJIQIJIQBTVTDY-VOTSOKGWSA-N(5E)-3,7-dimethylocta-1,5,7-trien-3-ol152.2373.12e-01 g/l2.810.0Grape / Grape wine / TeaShow Entry
Isoestragole PHUB000050148.088815006C10H12OTerpenoidsMonoterpenoidsNot AvailableAnetholeRUVINXPYWBROJD-ONEGZZNKSA-Nanethole148.2051.77e-01 g/l3.400.0AppleShow Entry
Limonene   PHUB000051136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableCajeputen; Cinene; KautschinXMGQYMWWDOXHJM-UHFFFAOYSA-Nlimonene, (+)-136.2384.57e-01 g/l4.500.0Apple / Dill / Grape / Grape wine / Lemon / Mandarin orange (Clementine, Tangerine) / Nutmeg / Orange juice / Pepper / Sweet orangeCarvone / 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-acidShow Entry
Linalool PHUB000052154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableLinalolCDOSHBSSFJOMGT-UHFFFAOYSA-Nlinalool, (+-)-154.2534.76e-01 g/l2.680.0Apple / Apricot / Cinnamon / Common thyme / Coriander / Grape / Grape wine / Lichee / Mandarin orange (Clementine, Tangerine) / Orange juice / Peach / Sweet basil / Sweet bay / Sweet cherryShow Entry
Linalool (8-hydroxydihydro-) PHUB000053172.146329884C10H20O2TerpenoidsMonoterpenoidsNot AvailableGFOMTORUAWAGGU-UHFFFAOYSA-N2,6-dimethyloct-7-ene-1,6-diol172.2682.62e+00 g/l1.980.0Grape / Grape wineShow Entry
Linalool (cis-8-hydroxy-) PHUB000054170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableNSMIMJYEKVSYMT-TWGQIWQCSA-N(2Z)-2,6-dimethylocta-2,7-diene-1,6-diol170.2524.55e+00 g/l1.350.0Grape / Grape wineShow Entry
Linalool (trans-8-hydroxy-) PHUB000055170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableNSMIMJYEKVSYMT-RMKNXTFCSA-N(6E)-8-hydroxylinalool170.2524.55e+00 g/l1.350.0Grape / Grape wineShow Entry
linalool oxide (cis-anhydrofuran) PHUB000056166.1357652C11H18OTerpenoidsMonoterpenoidsNot Availablecis-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuranWHAUGOYPBNDJOT-GHMZBOCLSA-N(2S,5R)-2-ethenyl-2,5-dimethyl-5-(prop-1-en-2-yl)oxolane166.2647.48e-02 g/l3.580.0Grape / Grape wineShow Entry
linalool oxide (cis-furan) PHUB000057184.146329884C11H20O2TerpenoidsMonoterpenoidsNot Availablecis-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuranSUOCCLKULOHEBG-GHMZBOCLSA-N2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol184.2793.52e-01 g/l1.990.0Grape / Grape wineShow Entry
Linalool oxide (cis-pyran) PHUB000058170.13067982C10H18O2TerpenoidsMonoterpenoidsNot Availablecis-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyranBCTBAGTXFYWYMW-WCBMZHEXSA-N(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol170.2521.58e+00 g/l1.680.0Grape / Grape wineShow Entry
linalool oxide (trans-anhydrofuran) PHUB000059152.120115135C10H16OTerpenoidsMonoterpenoidsNot Availablettrans-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuranXIGFNCYVSHOLIF-VHSXEESVSA-N(2S,5S)-2-ethenyl-2-methyl-5-(prop-1-en-2-yl)oxolane152.2371.37e-01 g/l3.130.0Grape / Grape wineShow Entry
linalool oxide (trans-furan) PHUB000060184.146329884C11H20O2TerpenoidsMonoterpenoidsNot Availabletrans-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuranSUOCCLKULOHEBG-MNOVXSKESA-N2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol184.2793.52e-01 g/l1.990.0Grape / Grape wineShow Entry
Linalool oxide (trans-pyran) PHUB000061170.13067982C10H18O2TerpenoidsMonoterpenoidsNot Availabletrans-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyranBCTBAGTXFYWYMW-WPRPVWTQSA-N(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol170.2521.58e+00 g/l1.680.0Grape / Grape wineShow Entry
Menthol PHUB000062156.151415264C10H20OTerpenoidsMonoterpenoidsNot AvailablePeppermint camphorNOOLISFMXDJSKH-KXUCPTDWSA-Nmenthol156.2695.58e-01 g/l2.680.0PeppermintMenthane-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 PHUB000063154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableMenthone (L-)NFLGAXVYCFJBMK-BDAKNGLRSA-N(-)-menthone154.2532.65e-01 g/l2.650.0PeppermintShow Entry
Menthyl acetate PHUB000064198.161979948C12H22O2TerpenoidsMonoterpenoidsNot AvailableXHXUANMFYXWVNG-ADEWGFFLSA-Nmenthyl acetate198.3061.88e-02 g/l3.540.0PeppermintShow Entry
Monotropein PHUB000065390.116211528C16H22O11TerpenoidsMonoterpenoidsNot AvailableHPWWQPXTUDMRBI-NJPMDSMTSA-Nmonotropein390.3415.02e+01 g/l-1.910.0American cranberry / BilberryShow Entry
Monotropein (6,7-dihydro-) PHUB000066392.131861593C16H24O11TerpenoidsMonoterpenoidsNot AvailablePMUMTYKKCFIWAK-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 acid392.3579.30e+01 g/l-2.070.0American cranberryShow Entry
Myrcene PHUB000067136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableMyrcene-betaUAHWPYUMFXYFJY-UHFFFAOYSA-Nα-myrcene136.2387.75e-02 g/l4.320.0Apple / Grape / Grape wine / Mandarin orange (Clementine, Tangerine) / ParsleyLimonene / 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 PHUB000068152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableIEVYLQISZQFFGA-YFHOEESVSA-Nmyrcenol152.2375.96e-01 g/l2.690.0GrapeShow Entry
Neral PHUB000069152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableCitral B; Citral-cisWTEVQBCEXWBHNA-YFHOEESVSA-Nneral152.2374.00e-01 g/l3.370.0Grape / Grape wine / Mandarin orange (Clementine, Tangerine)Show Entry
Nerol PHUB000070154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableGLZPCOQZEFWAFX-YFHOEESVSA-Nnerol154.2531.37e+00 g/l2.890.0Grape / Grape wineShow Entry
Ocimene-beta PHUB000071136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableAllocimene; OcimeneXJPBRODHZKDRCB-CSKARUKUSA-Nocimene136.2387.71e-02 g/l4.250.0Apple / Mandarin orange (Clementine, Tangerine) / Sweet basilShow Entry
Ocimenol-cis PHUB000072154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableIJFKZRMIRAVXRK-CLFYSBASSA-N(5Z)-2,6-dimethylocta-5,7-dien-2-ol154.2535.74e-01 g/l3.100.0GrapeShow Entry
Ocimenol-trans PHUB000073154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableIJFKZRMIRAVXRK-VQHVLOKHSA-N(5E)-2,6-dimethylocta-5,7-dien-2-ol154.2535.74e-01 g/l3.100.0GrapeShow Entry
Oleuropein PHUB000074540.18429109C25H32O13TerpenoidsMonoterpenoidsNot AvailableRFWGABANNQMHMZ-AGKURNLASA-N540.5180.0OliveShow Entry
Perillyl alcohol PHUB000075152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableNDTYTMIUWGWIMO-UHFFFAOYSA-N(-)-perillylalcohol152.2371.90e+00 g/l2.500.0LimoneneShow Entry
Perillyl aldehyde PHUB000076150.104465071C10H14OTerpenoidsMonoterpenoidsNot AvailablePerillaldehydeRUMOYJJNUMEFDD-UHFFFAOYSA-N(+)-perillaldehyde150.2215.81e-01 g/l2.970.0Mandarin orange (Clementine, Tangerine)Perillyl aldehyde metabolite 1 / Perillyl aldehyde metabolite 2 / Perillyl aldehyde metabolite 3 / Perillyl aldehyde metabolite 4Show Entry
Phellandrene-alpha PHUB000077136.125200515C10H16TerpenoidsMonoterpenoidsNot Availablep-Mentha-1,5-dieneOGLDWXZKYODSOB-UHFFFAOYSA-N(+-)-α phellandrene136.2381.33e-01 g/l4.290.0Dill / Sweet bayShow Entry
Phellandrene-beta PHUB000078136.125200515C10H16TerpenoidsMonoterpenoidsNot Availablep-Mentha-1(7),2-dieneLFJQCDVYDGGFCH-UHFFFAOYSA-Nβ phellandrene136.2383.44e-02 g/l3.980.0Cheese / ParsleyShow Entry
Pinene-alpha PHUB000079136.125200515C10H16TerpenoidsMonoterpenoidsNot Available2-Pinene; PineneGRWFGVWFFZKLTI-UHFFFAOYSA-Nα pinene136.2381.58e-01 g/l3.660.0Mandarin orange (Clementine, Tangerine) / Nutmeg / Orange juice / Pepper / Sweet bayVerbenol (trans-) / Myrtenol / Myrtenic acidShow Entry
Pinene-beta PHUB000080136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableNopineneWTARULDDTDQWMU-UHFFFAOYSA-Nβ-PINENE136.2386.37e-02 g/l3.940.0Common sage / Cumin / Fennel / Ginger / Mandarin orange (Clementine, Tangerine) / Nutmeg / Pepper / Rosemary / Sweet bayShow Entry
Rose oxide (cis) PHUB000081154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableCZCBTSFUTPZVKJ-NXEZZACHSA-N(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane154.2533.74e-01 g/l3.300.0Grape / Grape wine / LicheeShow Entry
Rose oxide (trans) PHUB000082154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableCZCBTSFUTPZVKJ-ZJUUUORDSA-N(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane154.2533.74e-01 g/l3.300.0Grape / Grape wineShow Entry
Sabinene PHUB000083136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableNDVASEGYNIMXJL-NXEZZACHSA-N(+)-sabinene136.2386.40e-02 g/l3.040.0Mandarin orange (Clementine, Tangerine) / Nutmeg / Orange juice / PepperShow Entry
Sabinene-hydrate (cis) PHUB000084154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableKXSDPILWMGFJMM-GUBZILKMSA-N(1R,2S,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol154.2538.10e-01 g/l2.120.0Sweet marjoramShow Entry
Sabinene-hydrate (trans) PHUB000085154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableKXSDPILWMGFJMM-AEJSXWLSSA-N(1R,2R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol154.2538.10e-01 g/l2.120.0Sweet marjoramShow Entry
Santolinatriene PHUB000086136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableZQGDEJAPCUGBRH-UHFFFAOYSA-N3-ethenyl-2,5-dimethylhexa-1,4-diene136.2389.81e-02 g/l3.760.0CheeseShow Entry
Terpinen-4-ol PHUB000087154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableWRYLYDPHFGVWKC-UHFFFAOYSA-Nterpinen-4-ol154.2532.50e+00 g/l2.810.0Grape / Grape wine / Mandarin orange (Clementine, Tangerine) / Sweet marjoramShow Entry
Terpinene-alpha PHUB000088136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableYHQGMYUVUMAZJR-UHFFFAOYSA-Nterpinene136.2384.98e-01 g/l4.510.0Mandarin orange (Clementine, Tangerine)Show Entry
Terpinene-gamma PHUB000089136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableYKFLAYDHMOASIY-UHFFFAOYSA-Nα terpinene136.2385.35e-01 g/l4.360.0Cumin / Grape / Mandarin orange (Clementine, Tangerine) / Orange juiceShow Entry
Terpineol-alpha PHUB000090154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableWUOACPNHFRMFPN-UHFFFAOYSA-Nterpineol154.2531.56e+00 g/l3.170.0Grape / Grape wine / Mandarin orange (Clementine, Tangerine) / Orange juice / PeachShow Entry
Terpineol-gamma PHUB000091154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableNNRLDGQZIVUQTE-UHFFFAOYSA-N1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol154.2533.68e+00 g/l2.680.0CheeseShow Entry
Terpinolene PHUB000092136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableMOYAFQVGZZPNRA-UHFFFAOYSA-Nterpinolene136.2381.38e+00 g/l3.820.0Mandarin orange (Clementine, Tangerine)Show Entry
Thujan-3-ol PHUB000093154.1357652C10H18OTerpenoidsMonoterpenoidsNot Available(+)-ThujolIKXCCPWTSIENLL-UHFFFAOYSA-N5-isopropyl-2-methylbicyclo[3.1.0]hexan-1-ol154.2538.48e-01 g/l2.210.0CheeseShow Entry
Thujene-alpha PHUB000094136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableKQAZVFVOEIRWHN-NXEZZACHSA-N(-)-α-thujene136.2381.63e-01 g/l4.070.0Mandarin orange (Clementine, Tangerine)Show Entry
Thujone PHUB000095152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableThujan-3-oneUSMNOWBWPHYOEA-UHFFFAOYSA-N3-isothujone152.2374.38e-01 g/l1.740.0Common sageShow Entry
Thymol PHUB000096150.104465071C10H14OTerpenoidsMonoterpenoidsNot Available3-p-cymenol; TimolMGSRCZKZVOBKFT-UHFFFAOYSA-Nthymol150.2216.43e-01 g/l3.160.0Common oregano / Common thymeShow Entry
Tricyclene PHUB000097136.125200515C10H16TerpenoidsMonoterpenoidsNot AvailableRRBYUSWBLVXTQN-UHFFFAOYSA-Ntricyclene136.2381.08e-02 g/l3.430.0CheeseShow Entry
Vitispirane PHUB000098192.151415264C13H20OTerpenoidsMonoterpenoidsNot AvailableDUPDJVDPPBFBPL-UHFFFAOYSA-N2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene192.3022.14e-02 g/l4.250.0Grape / Grape wineShow Entry
Absinthin PHUB000099496.282489008C30H40O6TerpenoidsSesquiterpenoidsNot AvailableAbsynthinPZHWYURJZAPXAN-ILOFNVQHSA-N(+)-absinthin496.6441.44e-02 g/l3.380.0Absinthe / VermouthShow Entry
Achillin PHUB000100246.12559444C15H18O3TerpenoidsSesquiterpenoidsNot AvailableSantolinBJPSSVHNEGMBDQ-OAACRXHESA-Nachillin246.3063.93e-01 g/l2.180.0Chamomile teaShow Entry
African-2(6)-ene PHUB000101204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableOAETXESJELUDBP-UHFFFAOYSA-N1a,4,6,6-tetramethyl-1H,2H,3H,4H,5H,7H,7aH-cyclopropa[e]azulene204.3571.26e-02 g/l5.450.0CheeseShow Entry
Aromadandrene PHUB000102204.187800773C15H24TerpenoidsSesquiterpenoidsNot Available1,1,2-trimethyl-5-methylidene-decahydro-1H-cyclopropa[e]azulene; Aromadendrene ((+)-)ITYNGVSTWVVPIC-UHFFFAOYSA-N1,1,2-trimethyl-5-methylidene-octahydro-1aH-cyclopropa[e]azulene204.3572.37e-03 g/l3.700.0CheeseShow Entry
Bisabolen-beta PHUB000103204.187800773C15H24TerpenoidsSesquiterpenoidsNot Available1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-eneXZRVRYFILCSYSP-UHFFFAOYSA-Nβ-bisabolene204.3578.41e-03 g/l6.010.0GingerShow Entry
Bourbonene-beta PHUB000104204.187800773C15H24TerpenoidsSesquiterpenoidsNot Available(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[5.3.0.0^{2,6}]decaneYIRAHEODBQONHI-ZQNQSHIBSA-Nβ-bourbonene204.3572.41e-03 g/l3.470.0GrapeShow Entry
Cadinene-beta PHUB000105204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableUSDOQCCMRDNVAH-KKUMJFAQSA-Nβ-cadinene204.3571.05e-02 g/l5.290.0GrapeShow Entry
Cadinene-delta PHUB000106204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableFUCYIEXQVQJBKY-ZFWWWQNUSA-Ndelta-cadinene204.3574.15e-02 g/l4.920.0Mandarin orange (Clementine, Tangerine)Show Entry
Cadinene-gamma PHUB000107204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableWRHGORWNJGOVQY-RBSFLKMASA-Ngamma-cadinene204.3575.94e-03 g/l4.480.0CheeseShow Entry
Cadinol PHUB000108222.198365457C15H26OTerpenoidsSesquiterpenoidsNot AvailableLHYHMMRYTDARSZ-UHFFFAOYSA-Nα-cadinol222.3725.57e-02 g/l3.520.0GrapeShow Entry
Calamenene PHUB000109202.172150708C15H22TerpenoidsSesquiterpenoidsNot AvailablePGTJIOWQJWHTJJ-STQMWFEESA-N(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene202.3411.57e-04 g/l5.600.0GrapeShow Entry
Capsidiol PHUB000110236.177630013C15H24O2TerpenoidsSesquiterpenoidsNot 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-diol1beBXXSHQYDJWZXPB-OKNSCYNVSA-Ncapsidiol236.3558.47e-01 g/l2.700.0Pepper C. annuumShow Entry
Caryophyllen-beta PHUB000111204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableCaryophyllen; Caryophyllen (trans-)NPNUFJAVOOONJE-GFUGXAQUSA-Ncaryophyllene204.3573.01e-03 g/l5.350.0Grape / Mandarin orange (Clementine, Tangerine) / Pepper14-Hydroxycaryophyllene-5,6-oxide / Caryophyllene-5,6-oxide-2,12-glycolShow Entry
Cedrene-beta PHUB000112204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableDYLPEFGBWGEFBB-DPORPMIOSA-N(2R,5S,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.0¹,⁵]undecane204.3571.31e-03 g/l4.500.0CheeseShow Entry
Copaene-alpha PHUB000113204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableVLXDPFLIRFYIME-XIQJJJERSA-N(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene204.3571.81e-03 g/l3.750.0Grape / Mandarin orange (Clementine, Tangerine)Show Entry
Cubebene-alpha PHUB000114204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableXUEHVOLRMXNRKQ-KHMAMNHCSA-Ncaswell no. 264AB204.3571.84e-03 g/l3.880.0CheeseShow Entry
Curcumene-alpha PHUB000115202.172150708C15H22TerpenoidsSesquiterpenoidsNot AvailableVMYXUZSZMNBRCN-UHFFFAOYSA-Ncurcumene202.3419.91e-04 g/l6.150.0GingerShow Entry
Deoxylactucin (8-) PHUB000116260.104858995C15H16O4TerpenoidsSesquiterpenoidsNot AvailableNIYXMGSLECQTQT-BPNCWPANSA-N8-deoxylactucin260.2891.05e+00 g/l0.990.0Chicory / LettuceShow Entry
Elemene-gamma PHUB000117204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableBQSLMQNYHVFRDT-LSDHHAIUSA-N(1S,2S)-1-ethenyl-1-methyl-2-(prop-1-en-2-yl)-4-(propan-2-ylidene)cyclohexane204.3579.10e-03 g/l5.090.0CheeseShow Entry
Farnesal PHUB000118220.182715393C15H24OTerpenoidsSesquiterpenoidsNot AvailableYHRUHBBTQZKMEX-UHFFFAOYSA-Nfarnesal220.3563.29e-02 g/l5.560.0FarnesolShow Entry
Farnesene-alpha PHUB000119204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableCXENHBSYCFFKJS-UHFFFAOYSA-Nα-farnesene204.3575.19e-03 g/l5.700.0Apple / Grape / PearShow Entry
Farnesene-beta PHUB000120204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableJSNRRGGBADWTMC-UHFFFAOYSA-Nβ-farnesene204.3573.38e-03 g/l5.700.0Apple / Grape / Mandarin orange (Clementine, Tangerine)Show Entry
Farnesol PHUB000121222.198365457C15H26OTerpenoidsSesquiterpenoidsNot Available3,7,11-trimethyldodeca-2,6,10-trien-1-olCRDAMVZIKSXKFV-UHFFFAOYSA-Nfarnesol222.3725.87e-02 g/l4.840.0AppleFarnesal / 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 pyrophosphateShow Entry
Germacrene B PHUB000122204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableGAIBLDCXCZKKJE-YZJXYJLZSA-Ngermacrene D204.3572.16e-03 g/l5.640.0GrapeShow Entry
Guaiene PHUB000123204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableADIDQIZBYUABQK-RWMBFGLXSA-Nguaiene204.3572.34e-02 g/l5.800.0GrapeShow Entry
Gurjunene-alpha PHUB000124204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableSPCXZDDGSGTVAW-XIDUGBJDSA-N(-)-α-gurjunene204.3571.23e-02 g/l4.450.0CheeseShow Entry
Gurjunene-beta PHUB000125204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableIRCZVRWQUNZGSH-DKTYCGPESA-N(1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-octahydro-1aH-cyclopropa[e]azulene204.3572.40e-03 g/l3.750.0CheeseShow Entry
Gurjunene-gamma PHUB000126204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableDUYRYUZIBGFLDD-ZXCYLUJYSA-N(3aR,4R,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene204.3575.51e-03 g/l5.730.0CheeseShow Entry
Heliangin PHUB000127362.172938557C20H26O6TerpenoidsSesquiterpenoidsNot AvailableHeliangineDZTWAOVNNLDWNH-AUWKULLQSA-Nheliangin362.4222.96e-01 g/l1.450.0Jerusalem artichoke / Spinach / SunflowerShow Entry
Himachalen-alpha PHUB000128204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableZJSIKVDEOWWVEH-UHFFFAOYSA-Nα-himachalene204.3572.62e-03 g/l5.130.0AppleShow Entry
Himachalen-gamma PHUB000129204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailablePUWNTRHCKNHSAT-UHFFFAOYSA-Ngamma-himachalene204.3578.46e-03 g/l5.570.0CheeseShow Entry
Humulene-alpha PHUB000130204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableCaryophyllene-alpha; Didymocarpene; HumuleneFAMPSKZZVDUYOS-HRGUGZIWSA-Nhumulene204.3571.08e-02 g/l6.070.0GrapeShow Entry
Ipomoeamarone PHUB000131250.156894568C15H22O3TerpenoidsSesquiterpenoidsNot AvailableWOFDWNOSFDVCDF-UHFFFAOYSA-N1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one250.3384.08e-02 g/l3.390.0Sweet potatoShow Entry
Isocaryophyllene PHUB000132204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableCaryophyllene-gammaNPNUFJAVOOONJE-FLFDDASRSA-Nisocaryophyllene204.3573.01e-03 g/l5.350.0ClovesShow Entry
Lactucin PHUB000133276.099773615C15H16O5TerpenoidsSesquiterpenoidsNot AvailableVJQAFLAZRVKAKM-UHFFFAOYSA-Nlactucin276.2886.84e+00 g/l-0.280.0Chicory / LettuceShow Entry
Lactupicrin PHUB000134410.136553048C23H22O7TerpenoidsSesquiterpenoidsNot AvailableIntibinUMVSOHBRAQTGQI-XGARDCMYSA-Nlactupicrin410.4228.77e-02 g/l1.990.0Chicory / LettuceShow Entry
Longifolene PHUB000135204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableJunipene; KiromatsuenePDSNLYSELAIEBU-UHFFFAOYSA-Nlongifolene204.3571.26e-03 g/l4.650.0Cheese14-hydroxyisolongifoldaldehydeShow Entry
Lubimin PHUB000136236.177630013C15H24O2TerpenoidsSesquiterpenoidsNot AvailableCEVNHRPKRNTGKO-ZSAUSMIDSA-Nlubimin236.3551.15e-01 g/l2.380.0Damaged potatoShow Entry
Matricin PHUB000137306.146723808C17H22O5TerpenoidsSesquiterpenoidsNot AvailableSYTRJRUSWMMZLV-UHFFFAOYSA-N9-hydroxy-3,6,9-trimethyl-2-oxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate306.3588.96e-01 g/l1.840.0Chamomile teaShow Entry
Muurolene-alpha PHUB000138204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableQMAYBMKBYCGXDH-UHFFFAOYSA-Ncadinene204.3571.03e-02 g/l5.000.0GrapeShow Entry
Muurolene-gamma PHUB000139204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableWRHGORWNJGOVQY-UHFFFAOYSA-N4-isopropyl-6-methyl-1-methylidene-3,4,4a,7,8,8a-hexahydro-2H-naphthalene204.3575.94e-03 g/l4.480.0CheeseShow Entry
Nobilin PHUB000140346.178023937C20H26O5TerpenoidsSesquiterpenoidsNot AvailableQFINJHBXXJQKPB-QLDBJWRKSA-N9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate346.4239.95e-02 g/l2.150.0Chamomile teaShow Entry
Nootkatone PHUB000141218.167065328C15H22OTerpenoidsSesquiterpenoidsNot AvailableWTOYNNBCKUYIKC-JMSVASOKSA-Nnootkatone218.342.88e-02 g/l3.890.0GrapefruitNootkatone-13,14-diolShow Entry
Patchoulen-beta PHUB000142190.172150708C14H22TerpenoidsSesquiterpenoidsNot AvailableZPKGZYDIXRIBAI-UHFFFAOYSA-N5,11,11-trimethyltricyclo[6.2.1.0²,⁶]undec-2(6)-ene190.333.06e-02 g/l4.840.0CheeseShow Entry
Phytuberin PHUB000143294.183109317C17H26O4TerpenoidsSesquiterpenoidsNot AvailableYARAJYKHRCCDLG-XLNGHYISSA-Nphytuberin294.3918.24e-03 g/l3.660.0Damaged potatoShow Entry
Rishitin PHUB000144222.161979948C14H22O2TerpenoidsSesquiterpenoidsNot AvailableXSCYYIVXGBKTOC-GZZJDILISA-Nrishitin222.3281.51e+00 g/l1.910.0Damaged potatoShow Entry
Rotundone PHUB000145218.167065328C15H22OTerpenoidsSesquiterpenoidsNot AvailableNUWMTBMCSQWPDG-UHFFFAOYSA-N3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one218.341.11e-01 g/l4.040.0Grape wine / PepperShow Entry
Selinene-beta PHUB000146204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableYOVSPTNQHMDJAG-QLFBSQMISA-Nβ-selinene204.3573.28e-03 g/l5.260.0GrapeShow Entry
Sesquiphellandrene PHUB000147204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailablePHWISBHSBNDZDX-UHFFFAOYSA-N3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohex-1-ene204.3572.03e-03 g/l5.710.0GingerShow Entry
Sinensal-alpha PHUB000148218.167065328C15H22OTerpenoidsSesquiterpenoidsNot AvailablePFSTYGCNVAVZBK-JQGMZEBDSA-Nα-sinensal218.341.62e-02 g/l5.060.0Sweet orangeShow Entry
Sinensal-beta PHUB000149218.167065328C15H22OTerpenoidsSesquiterpenoidsNot AvailableNOPLRNXKHZRXHT-YFVJMOTDSA-Nβ-sinensal218.346.92e-03 g/l4.810.0Sweet orangeShow Entry
Theaspirane PHUB000150194.167065328C13H22OTerpenoidsSesquiterpenoidsNot AvailableGYUZHTWCNKINPY-YPMHNXCESA-N(2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene194.3183.19e-02 g/l4.290.0GrapeShow Entry
Trans-Muurola-4(14),5-diene PHUB000151204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableRNDFUOKDULDZPR-AMIUJLCOSA-N(1R,4S)-4-isopropyl-1-methyl-6-methylidene-2,3,4,7,8,8a-hexahydro-1H-naphthalene204.3575.45e-03 g/l5.480.0CheeseShow Entry
Valencene PHUB000152204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableQEBNYNLSCGVZOH-NFAWXSAZSA-Nvalencene204.3572.87e-03 g/l5.860.0Orange juiceShow Entry
Ylangene PHUB000153204.187800773C15H24TerpenoidsSesquiterpenoidsNot Available8-isocopaeneVLXDPFLIRFYIME-MWHZVNNOSA-Nα-ylangene204.3571.81e-03 g/l3.750.0GrapeShow Entry
Zingiberene PHUB000154204.187800773C15H24TerpenoidsSesquiterpenoidsNot AvailableKKOXKGNSUHTUBV-LSDHHAIUSA-Nzingiberene204.3576.31e-03 g/l5.770.0GingerShow Entry
2-alpha-hydroxy-3-beta-{[(2Z)-3-phenyl-1-oxo-2-propenyl]oxy}olean-12-en-28-oic acid PHUB000155602.397124839C39H54O5TerpenoidsTriterpenoidsMiscellaneous triterpenoidsQYNZDAXHBDWWFS-UDUPULDKSA-N11-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 acid602.8562.18e-04 g/l7.650.0AppleShow Entry
Alphitolic acid PHUB000156470.339609961C30H46O4TerpenoidsTriterpenoidsMiscellaneous triterpenoids(1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7YVFUWFRLVWFNLF-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 acid470.6944.27e-03 g/l5.670.0JujubeShow Entry
Alphitolic acid (3-O-cis-p-coumaroyl-) PHUB000157618.392039459C39H54O6TerpenoidsTriterpenoidsMiscellaneous triterpenoidsAQHKWALTXQHZKK-XNTDXEJSSA-N16-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 acid618.8555.24e-04 g/l6.290.0JujubeShow Entry
Alphitolic acid (3-O-trans-p-coumaroyl-) PHUB000158618.392039459C39H54O6TerpenoidsTriterpenoidsMiscellaneous triterpenoidsAQHKWALTXQHZKK-XNTDXEJSSA-N16-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 acid618.8555.24e-04 g/l6.290.0JujubeShow Entry
Avenacin A-1 PHUB0001591093.545758697C55H83NO21TerpenoidsTriterpenoidsSaponinsSYXUBXTYGFJFEH-PFTGTSLFSA-Navenacin A 11094.2553.14e-01 g/l1.300.0OatShow Entry
Avenacin B-2 PHUB0001601048.524294976C54H80O20TerpenoidsTriterpenoidsSaponinsRTMPAEPNXWUCGZ-ITFDNFFVSA-Navenacin B-21049.2141.13e-01 g/l1.750.0OatShow Entry
Azukisaponin III PHUB000161810.440171425C42H66O15TerpenoidsTriterpenoidsSaponinsFXYSHYMHTAACSV-UHFFFAOYSA-N6-{[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 acid810.9759.20e-02 g/l2.240.0Azuki beanShow Entry
Barringtogenol C PHUB000162490.36582471C30H50O5TerpenoidsTriterpenoidsSaponinsJegosapogenol; Theasapogenol BAYDKOFQQBHRXEW-AAUPIIFFSA-Nbarringtogenol C490.7253.16e-02 g/l3.770.0TeaShow Entry
Betulinic acid PHUB000163456.360345406C30H48O3TerpenoidsTriterpenoidsMiscellaneous 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 acidQGJZLNKBHJESQX-FZFNOLFKSA-Nmairin456.7112.04e-04 g/l5.340.0JujubeShow Entry
Betulonic acid PHUB000164454.344695341C30H46O3TerpenoidsTriterpenoidsMiscellaneous triterpenoids(1R,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7aSLJTWDNVZKIDAU-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 acid454.6951.39e-04 g/l5.810.0JujubeShow Entry
Colubrinic acid PHUB000165470.339609961C30H46O4TerpenoidsTriterpenoidsMiscellaneous triterpenoidsZizyberanalic acidSLWJVQQNDGLXTK-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 acid470.6945.96e-04 g/l5.080.0JujubeShow Entry
Erythrodiol PHUB000166442.38108085C30H50O2TerpenoidsTriterpenoidsMiscellaneous triterpenoidsPSZDOEIIIJFCFE-OSQDELBUSA-Nerythrodiol442.7283.81e-04 g/l6.750.0Olive oilShow Entry
Ginsenoside Re PHUB000167946.5501158C48H82O18TerpenoidsTriterpenoidsSaponinsPWAOOJDMFUQOKB-WCZZMFLVSA-Nginsenoside RE947.1668.12e-01 g/l0.600.0Ginsenoside Rg1 / Ginsenoside Rh1 / Ginsenoside Rg2 / Ginsenoside F1 / ProtopanaxatriolShow Entry
Ginsenoside Rf PHUB000168800.492206998C42H72O14TerpenoidsTriterpenoidsSaponinsUZIOUZHBUYLDHW-XUBRWZAZSA-Nginsenoside RF801.0244.20e-01 g/l1.130.0GinsengShow Entry
Ginsenoside Rg1 PHUB000169800.492206998C42H72O14TerpenoidsTriterpenoidsSaponinsYURJSTAIMNSZAE-HHNZYBFYSA-Nginsenoside801.0243.04e-01 g/l1.000.0Ginsenoside ReShow Entry
Glycyrrhetinic acid PHUB000170470.339609961C30H46O4TerpenoidsTriterpenoidsSaponinsGlycyrrhetic acid; Glycyrrhetic acid (alpha-); GlycyrrhetinMPDGHEJMBKOTSU-YKLVYJNSSA-Njintan470.6941.72e-03 g/l5.450.0GlycyrrhizinShow Entry
Glycyrrhizin PHUB000171822.403785916C42H62O16TerpenoidsTriterpenoidsSaponinsLPLVUJXQOOQHMX-QWBHMCJMSA-Nglycyrrhizin822.9425.45e-02 g/l2.780.0LiquoriceGlycyrrhetinic acid / Glycyrrhetinic acid 3-O-glucuronide / Glycyrrhetinic acid 30-O-glucuronide / Glycyrrhetinic acid 3-O-sulfate / Glycyrrhetinic acid 3-O-sulfate-30-glucuronideShow Entry
Limonin PHUB000172470.194067926C26H30O8TerpenoidsTriterpenoidsLimonoidsCitrolimonin; Dictamnolactone; Evodin; ObaculactoneKBDSLGBFQAGHBE-MSGMIQHVSA-Nlimonin470.5187.99e-02 g/l3.470.0Grapefruit / Sour orange / Sweet orangeShow Entry
Limonin (17-beta-D-glucoside-) PHUB000173650.257456032C32H42O14TerpenoidsTriterpenoidsLimonoidsGlucosyl-limoninFYIKIBQJAJRKQM-WNCNYDOCSA-Nlimonin 17-β-D-glucopyranoside650.6741.01e+00 g/l1.070.0Grapefruit / Mandarin orange (Clementine, Tangerine) / Sweet orangeShow Entry
lupeol PHUB000174426.38616623C30H50OTerpenoidsTriterpenoidsMiscellaneous triterpenoidsMQYXUWHLBZFQQO-QGTGJCAVSA-Nlupeol426.7291.95e-04 g/l5.970.0PeanutShow Entry
Maslinic acid PHUB000175472.355260026C30H48O4TerpenoidsTriterpenoidsMiscellaneous triterpenoidsMDZKJHQSJHYOHJ-LLICELPBSA-Nmaslinic acid472.714.04e-03 g/l6.060.0AppleShow Entry
maslinic acid (3-O-cis-p-Coumaroyl-) PHUB000176618.392039459C39H54O6TerpenoidsTriterpenoidsMiscellaneous triterpenoidsKWLOAKAXMOYBRK-GDNBJRDFSA-N11-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 acid618.8555.24e-04 g/l7.150.0JujubeShow Entry
maslinic acid (3-O-trans-p-Coumaroyl-) PHUB000177618.392039459C39H54O6TerpenoidsTriterpenoidsMiscellaneous triterpenoidsKWLOAKAXMOYBRK-GDNBJRDFSA-N11-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 acid618.8555.24e-04 g/l7.150.0JujubeShow Entry
Medicagenic acid PHUB000178502.329439201C30H46O6TerpenoidsTriterpenoidsSaponinsIDGXIXSKISLYAC-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 acid502.6926.10e-03 g/l4.150.0AlfalfaShow Entry
Nomilin PHUB000179514.220282675C28H34O9TerpenoidsTriterpenoidsLimonoidsKPDOJFFZKAUIOE-WNGDLQANSA-Nnomilin514.5714.49e-02 g/l3.590.0Sour orangeShow Entry
Obacunone PHUB000180454.199153306C26H30O7TerpenoidsTriterpenoidsLimonoidsCasimirolideMAYJEFRPIKEYBL-OASIGRBWSA-Nobacunone454.5192.37e-02 g/l3.760.0Sour orangeShow Entry
Oleanolic acid PHUB000181456.360345406C30H48O3TerpenoidsTriterpenoidsMiscellaneous triterpenoidsMIJYXULNPSFWEK-GTOFXWBISA-Noleanolic acid456.7118.17e-04 g/l7.090.0JujubeOleanolic acid (Hydroxyl-) / Oleanolic acid (Dihydroxyl-)Show Entry
Oleanolic acid 3-O-glucuronide PHUB000182632.392433383C36H56O9TerpenoidsTriterpenoidsSaponinsIUCHKMAZAWJNBJ-RCYXVVTDSA-Noleanolic acid 3-O-glucuronide632.8356.84e-03 g/l4.660.0Common beetrootShow Entry
Oleanonic acid PHUB000183454.344695341C30H46O3TerpenoidsTriterpenoidsMiscellaneous triterpenoidsFMIMFCRXYXVFTA-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 acid454.6955.32e-04 g/l7.150.0JujubeShow Entry
Phaseoloside D PHUB0001841380.656156569C65H104O31TerpenoidsTriterpenoidsSaponinsCVMFAOXHGIFMQV-BVXNWBLKSA-Nphaseoloside D1381.5161.88e+00 g/l0.390.0Common beanShow Entry
Soyasapogenol B PHUB0001851268.603727071C59H96O29TerpenoidsTriterpenoidsSaponinsXFXHYKZIZSNVSQ-TZRAUYBZSA-Nsoyasaponin A11269.3884.19e+00 g/l-0.660.0Soy beanShow Entry
Soyasaponin A1 PHUB0001861268.603727071C59H96O29TerpenoidsTriterpenoidsSaponinsXFXHYKZIZSNVSQ-TZRAUYBZSA-Nsoyasaponin A11269.3884.19e+00 g/l-0.660.0Soy beanShow Entry
Soyasaponin I PHUB000187942.518815672C48H78O18TerpenoidsTriterpenoidsSaponinsPTDAHAWQAGSZDD-IOVCITQVSA-Nsoyasaponin I943.1342.25e-01 g/l2.170.0Chickpea / Common bean / Lentils / Soy beanShow Entry
Spinasaponin A PHUB000188794.445256805C42H66O14TerpenoidsTriterpenoidsSaponinsBQPYEFAVIPEQIK-CGCSGISQSA-Nspinasaponin A794.9765.82e-02 g/l3.240.0SpinachShow Entry
Theasaponin PHUB0001891232.582597702C59H92O27TerpenoidsTriterpenoidsSaponinsBWPGKXYWPBQBPV-MWQJAWBESA-Ntheasaponin1233.3581.49e+00 g/l0.770.0TeaShow Entry
Ursolic acid PHUB000190456.360345406C30H48O3TerpenoidsTriterpenoidsUrsanesMalol; Malolic acid; Micromerol; Prunol; UrsonWCGUUGGRBIKTOS-GPOJBZKASA-Nursolic acid456.7115.90e-04 g/l6.350.0American cranberry / Apple / Bilberry / Common persimmon / Common sage / Common thyme / Guava / Mustard / Olive / Pear / Rosemary / Star fruit / Sweet basilShow Entry
Ursolic acid (2-alpha-hydroxy-) PHUB000191472.355260026C30H48O4TerpenoidsTriterpenoidsUrsanesCorosolic acid; GlucosolHFGSQOYIOKBQOW-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 acid472.714.57e-03 g/l5.490.0AppleShow Entry
Ursolic acid (cis-3-O-hydroxycinnamoyl-) PHUB000192602.397124839C39H54O5TerpenoidsTriterpenoidsUrsanesZOXDAGKKDOEJBW-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 acid602.8561.47e-04 g/l7.920.0American cranberryShow Entry
Ursolic acid (trans-3-O-hydroxycinnamoyl-) PHUB000193602.397124839C39H54O5TerpenoidsTriterpenoidsUrsanesZOXDAGKKDOEJBW-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 acid602.8561.47e-04 g/l7.920.0American cranberryShow Entry
Uvaol PHUB000194442.38108085C30H50O2TerpenoidsTriterpenoidsMiscellaneous triterpenoidsXUARCIYIVXVTAE-ZAPOICBTSA-Nuvaol442.7282.72e-04 g/l6.130.0Olive oilShow Entry
Yamogenin PHUB000195414.313395212C27H42O3TerpenoidsTriterpenoidsSaponinsWQLVFSAGQJTQCK-CAKNJAFZSA-Nyamogenin414.635.52e-04 g/l4.150.0AsparagusShow Entry
Zizyberenalic acid PHUB000196452.329045277C30H44O3TerpenoidsTriterpenoidsMiscellaneous triterpenoidsGUPQNHIGLNUBOG-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 acid452.6792.56e-04 g/l6.210.0JujubeShow Entry
Phytol PHUB000197296.307915908C20H40OTerpenoidsDiterpenoidsNot AvailableBOTWFXYSPFMFNR-PYDDKJGSSA-Nphytol296.5391.10e-04 g/l7.890.0Asparagus / Broad bean / Lettuce / Olive oil / Rapeseed oil / TeaPhytanic 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 acidShow Entry
16-H1-phytoprostane PHUB000198326.209324066C18H30O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableTZQUATAURWLGJI-ZHACJKMWSA-N8-{6-[(1E)-3-hydroxypent-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}octanoic acid326.4337.39e-02 g/l3.410.0Show Entry
16-D1-phytoprostane PHUB000199326.209324066C18H30O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableMUKVIZSNYWHGCM-ZHACJKMWSA-N8-{5-hydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]-3-oxocyclopentyl}octanoic acid326.4333.64e-01 g/l2.340.0Show Entry
16-E1-phytoprostane PHUB000200326.209324066C18H30O5Miscellaneous phytochemicalsPhytoprostanesNot AvailablePLXNUXTXNUIUNK-ZHACJKMWSA-N8-{3-hydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopentyl}octanoic acid326.4333.92e-01 g/l2.330.0Show Entry
16-F1-phytoprostane PHUB000201328.22497413C18H32O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableRQXBHXSBLSHCPO-ZHACJKMWSA-N8-{3,5-dihydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]cyclopentyl}octanoic acid328.4493.46e-01 g/l3.120.0Beer / linseed oil / Olive oil / Rapeseed oil / soybean oilShow Entry
16-J1-phytoprostane PHUB000202308.198759382C18H28O4Miscellaneous phytochemicalsPhytoprostanesNot AvailableFWGSZKXOWWJSMJ-VAWYXSNFSA-N8-{5-[(1E)-3-hydroxypent-1-en-1-yl]-4-oxocyclopent-2-en-1-yl}octanoic acid308.4184.71e-02 g/l3.520.0Show Entry
16-A1-phytoprostane PHUB000203308.198759382C18H28O4Miscellaneous phytochemicalsPhytoprostanesNot AvailableOXXJZDJLYSMGIQ-ZRDIBKRKSA-N8-{2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}octanoic acid308.4185.39e-02 g/l3.470.0Show Entry
16-B1-phytoprostane PHUB000204308.198759382C18H28O4Miscellaneous phytochemicalsPhytoprostanesNot Available16-L1-phytoprostaneWJSAFQZKYVRPGM-ZRDIBKRKSA-N8-{2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}octanoic acid308.4182.71e-02 g/l3.170.0Almond / Macroalgae / Melon / Olive / Olive oil / Red wineShow Entry
16-dJ1-phytoprostane PHUB000205290.188194697C18H26O3Miscellaneous phytochemicalsPhytoprostanesNot AvailablePDNGUFGDDNNXDJ-PMXBIMRSSA-N8-[(5Z)-4-oxo-5-[(2Z)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoic acid290.4031.25e-02 g/l5.000.0Show Entry
9-H1-phytoprostane PHUB000206326.209324066C18H30O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableUDHHBMXSVGWEAZ-ZHACJKMWSA-N(10E)-11-{6-ethyl-2,3-dioxabicyclo[2.2.1]heptan-5-yl}-9-hydroxyundec-10-enoic acid326.4338.20e-02 g/l3.400.0Show Entry
9-D1-phytoprostane PHUB000207326.209324066C18H30O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableHPKXZPJOBRJOHF-ZHACJKMWSA-N(10E)-11-(2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid326.4333.53e-01 g/l2.360.0Almond / Olive oil / Red wineShow Entry
9-E1-phytoprostane PHUB000208326.209324066C18H30O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableGEVZHBGQVSRMPD-ZHACJKMWSA-N(10E)-11-(2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid326.4333.67e-01 g/l2.360.0Show Entry
9-F1-phytoprostane PHUB000209328.22497413C18H32O5Miscellaneous phytochemicalsPhytoprostanesNot AvailableGKBLNJXQDMHILB-ZHACJKMWSA-N(10E)-11-(2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid328.4493.37e-01 g/l3.140.0Algae / Almond / Beer / linseed oil / Macroalgae / Melon / Olive / Olive oil / Rapeseed oil / Red wine / soybean oilShow Entry
9-J1-phytoprostane PHUB000210308.198759382C18H28O4Miscellaneous phytochemicalsPhytoprostanesNot AvailableGSIHBOIIJFLKIL-VAWYXSNFSA-N(10E)-11-(2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid308.4185.51e-02 g/l3.460.0Show Entry
9-A1-phytoprostane PHUB000211308.198759382C18H28O4Miscellaneous phytochemicalsPhytoprostanesNot AvailableMYTDGCAXWORFIK-ZRDIBKRKSA-N(10E)-11-(5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid308.4185.42e-02 g/l3.460.0Show Entry
9-B1-phytoprostane PHUB000212308.198759382C18H28O4Miscellaneous phytochemicalsPhytoprostanesNot Available9-L1-phytoprostaneKXMANOZDITZERP-ZRDIBKRKSA-N(10E)-11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9-hydroxyundec-10-enoic acid308.4182.93e-02 g/l3.180.0Show Entry
9-dJ1-phytoprostane PHUB000213290.188194697C18H26O3Miscellaneous phytochemicalsPhytoprostanesNot AvailableWRLHJNCNGIFTDZ-PUNCNYEPSA-N(9Z)-11-[(1Z)-2-ethyl-5-oxocyclopent-3-en-1-ylidene]undec-9-enoic acid290.4039.71e-03 g/l5.030.0Show Entry
6''-O-Acetyldaidzin PHUB000214458.121296908C23H22O10PolyphenolsFlavonoidsIsoflavones6''-O-acetyl-7,4'-dihydroxyisoflavone 7-O-glucoside; 6''-O-Acetyldaidzein 7-O-glucoside; AcetyldaidzinZMOZJTDOTOZVRT-UHFFFAOYSA-N(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate458.4193.50e-01 g/l1.430.0Show Entry
6''-O-Acetylgenistin PHUB000215474.116211528C23H22O11PolyphenolsFlavonoidsIsoflavones6''-O-Acetyl-5,7,4'-trihydroxyisoflavone 7-O-glucoside; 6''-O-Acetylgenistein 7-O-glucoside; AcetylgenistinDXWGBJJLEDQBKS-UHFFFAOYSA-N(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate474.4184.79e-01 g/l1.250.0Show Entry
6''-O-Acetylglycitin PHUB000216488.131861593C24H24O11PolyphenolsFlavonoidsIsoflavones6''-O-acetyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside; 6''-O-Acetylglycitein 7-O-glucoside; AcetylglycitinDUBPGEJGGVZKDD-UHFFFAOYSA-N(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate488.4453.32e-01 g/l1.410.0Show Entry
6''-O-Malonyldaidzin PHUB000217502.111126148C24H22O12PolyphenolsFlavonoidsIsoflavones6''-O-Malonyl-7,4'-dihydroxyisoflavone 7-O-glucoside; 6''-O-Malonyldaidzein 7-O-glucoside; MalonyldaidzinMTXMHWSVSZKYBT-UHFFFAOYSA-N3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid502.4283.62e-01 g/l0.800.0Show Entry
6''-O-Malonylgenistin PHUB000218518.106040768C24H22O13PolyphenolsFlavonoidsIsoflavones6''-O-Malonyl-5,7,4'-trihydroxyisoflavone 7-O-glucoside; 6''-O-Malonylgenistein 7-O-glucoside; MalonylgenistinFRAUJUKWSKMNJY-UHFFFAOYSA-N3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid518.4275.97e-01 g/l1.340.0Show Entry
6''-O-Malonylglycitin PHUB000219532.121690833C25H24O13PolyphenolsFlavonoidsIsoflavones6''-O-Malonyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside; 6''-O-Malonylglycitein 7-O-glucoside; MalonylglycitinOWMHCYFEIJPHFB-UHFFFAOYSA-N3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid532.4543.14e-01 g/l0.840.0Show Entry
Biochanin A PHUB000220284.068473486C16H12O5PolyphenolsFlavonoidsIsoflavones4'-Methylgenistein; 5,7-Dihydroxy-4'-methoxyisoflavone; PratensolWUADCCWRTIWANL-UHFFFAOYSA-Nbiochanin284.2675.83e-02 g/l3.440.0Biochanin A-7-O-glucuronide / Biochanin A sulfate / 2,3-Dihydrobiochanin AShow Entry
Coumestrol PHUB000221268.037173358C15H8O5PolyphenolsFlavonoidsIsoflavones7,12-Dihydroxycoumestan; ChrysanthinZZIALNLLNHEQPJ-UHFFFAOYSA-Ncoumestrol268.2242.81e-01 g/l2.430.0Show Entry
Daidzein PHUB000222254.057908802C15H10O4PolyphenolsFlavonoidsIsoflavones7,4'-Dihydroxyisoflavone; DaidzeolZQSIJRDFPHDXIC-UHFFFAOYSA-Ndaidzein254.2418.49e-02 g/l3.300.0Coffee / Soy bean / Soy milkDaidzein 7-O-glucuronide / Daidzein 4'-O-glucuronide / Daidzein 7-O-sulfate / Dihydrodaidzein / Dihydrodaidzein 7-O-glucuronideShow Entry
Daidzin PHUB000223416.110732224C21H20O9PolyphenolsFlavonoidsIsoflavones7,4'-Dihydroxyisoflavone 7-O-glucoside; Daidzein 7-O-glucosideKYQZWONCHDNPDP-QNDFHXLGSA-Ndaidzin416.3826.61e-01 g/l0.710.0Show Entry
Formononetin PHUB000224268.073558866C16H12O4PolyphenolsFlavonoidsIsoflavones4'-Methyldaidzein; 7-Hydroxy-4'-methoxyisoflavone; Biochanin B; Neochanin; PratolHKQYGTCOTHHOMP-UHFFFAOYSA-Nformononetin268.2684.02e-02 g/l3.560.0Formononetin 7-O-glucuronide / Formononetin sulfate / Dihydroformononetin / CalycosinShow Entry
Genistein PHUB000225270.052823422C15H10O5PolyphenolsFlavonoidsIsoflavones5,7,4'-Trihydroxyisoflavone; Genisteol; Prunetol; SophoricolTZBJGXHYKVUXJN-UHFFFAOYSA-Ngenistein270.241.23e-01 g/l3.040.0Dihydrogenistein / Genistein 7-O-glucuronide / Genistein O-sulfate / 6'-Hydroxy-O-demethylangolensinShow Entry
Genistin PHUB000226432.105646844C21H20O10PolyphenolsFlavonoidsIsoflavones5,7,4'-Trihydroxyisoflavone 7-O-glucoside; Genistein 7-O-glucosideZCOLJUOHXJRHDI-CMWLGVBASA-Ngenistin432.3811.01e+00 g/l0.680.0Show Entry
Glycitein PHUB000227284.068473486C16H12O5PolyphenolsFlavonoidsIsoflavones7,4'-Dihydroxy-6-methoxyisoflavone; GlyciteinDXYUAIFZCFRPTH-UHFFFAOYSA-Nglycitein284.2675.56e-02 g/l3.350.0Show Entry
Glycitin PHUB000228446.121296908C22H22O10PolyphenolsFlavonoidsIsoflavones7,4'-Dihydroxyi-6-methoxyisoflavone 7-O-glucoside; Glycitein 7-O-glucosideOZBAVEKZGSOMOJ-MIUGBVLSSA-Nglycitin446.4085.39e-01 g/l0.830.0Show Entry
Licoisoflavone A PHUB000229354.1103383C20H18O6PolyphenolsFlavonoidsIsoflavonesPhaseoluteoneKCUZCRLRQVRBBV-UHFFFAOYSA-Nlicoisoflavone A354.3581.93e-02 g/l3.290.0Show Entry
Prunetin PHUB000230284.068473486C16H12O5PolyphenolsFlavonoidsIsoflavonesKQMVAGISDHMXJJ-UHFFFAOYSA-Nprunetin284.2675.86e-02 g/l3.360.0Show Entry
Puerarin PHUB000231416.110732224C21H20O9PolyphenolsFlavonoidsIsoflavonesDaidzein 8-C-glucosideHKEAFJYKMMKDOR-UHFFFAOYSA-Npuerarin416.3821.08e+00 g/l0.480.0Show Entry
Sayanedine PHUB000232298.084123551C17H14O5PolyphenolsFlavonoidsIsoflavonesJSDXTLJPMLRQOB-UHFFFAOYSA-Nsayanedine298.2943.19e-02 g/l3.470.0Show Entry
4-Hydroxycoumarin PHUB000233162.031694053C9H6O3PolyphenolsCoumarins and FuranocoumarinsNot AvailableOWBBAPRUYLEWRR-UHFFFAOYSA-N4-hydroxycoumarin162.1443.55e+00 g/l0.750.0Show Entry
Angelicin PHUB000234186.031694053C11H6O3PolyphenolsCoumarins and FuranocoumarinsNot AvailableIsosporalenXDROKJSWHURZGO-UHFFFAOYSA-Nangelicin186.1661.48e-01 g/l2.030.0Celeriac / ParsnipShow Entry
Archangelicin PHUB000235426.167853177C24H26O7PolyphenolsCoumarins and FuranocoumarinsNot AvailableRVGGCRQPGKFZDS-OGYNRYKTSA-N2-[(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-enoate426.4653.22e-03 g/l4.930.0AngelicaShow Entry
Bergamottin PHUB000236338.151809188C21H22O4PolyphenolsCoumarins and FuranocoumarinsNot AvailableDBMJZOMNXBSRED-DHDCSXOGSA-N4-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}furo[3,2-g]chromen-7-one338.4031.04e-02 g/l5.300.0Earl grey tea / Grapefruit / Lemon / Lime / PummeloShow Entry
Bergapten PHUB000237216.042258738C12H8O4PolyphenolsCoumarins and FuranocoumarinsNot Available5-MethoxypsoralenBGEBZHIAGXMEMV-UHFFFAOYSA-Nbergapten216.1921.48e-01 g/l2.120.0Celeriac / Earl grey tea / Grapefruit / Lime / Parsley / ParsnipShow Entry
Coumarin PHUB000238146.036779433C9H6O2PolyphenolsCoumarins and FuranocoumarinsNot Available1,2-BenzopyroneZYGHJZDHTFUPRJ-UHFFFAOYSA-Ncoumarin146.1451.00e+00 g/l1.720.0Show Entry
Esculetin PHUB000239178.026608673C9H6O4PolyphenolsCoumarins and FuranocoumarinsNot Available6,7-dihydroxy-2H-1-benzopyran-2-one; 6,7-Dihydroxycoumarin; Aesculetin; Cichorigenin; EsculetolILEDWLMCKZNDJK-UHFFFAOYSA-Nesculetin178.1434.60e+00 g/l1.380.0Show Entry
Esculin PHUB000240340.079432095C15H16O9PolyphenolsCoumarins and FuranocoumarinsNot Available6,7-Dihydroxycoumarin 6-beta-D-glucopyranoside; Aesculin; Bicolorin; Crataegin; EsculosideXHCADAYNFIFUHF-TVKJYDDYSA-N(-)-esculin340.2841.03e+01 g/l-0.530.0Show Entry
Isopimpinellin PHUB000241246.052823422C13H10O5PolyphenolsCoumarins and FuranocoumarinsNot Available5,8-DimethoxypsoralenDFMAXQKDIGCMTL-UHFFFAOYSA-Nisopimpinellin246.2181.46e-01 g/l2.010.0Show Entry
Mellein PHUB000242178.062994182C10H10O3PolyphenolsCoumarins and FuranocoumarinsNot Available3,4-Dihydro-8-hydroxy-3-methylisocoumarin; Antibiotic AO-2; Antibiotic BV-1; OchracinKWILGNNWGSNMPA-UHFFFAOYSA-Nmellein178.1873.14e+00 g/l2.270.0Show Entry
Pimpinellin PHUB000243246.052823422C13H10O5PolyphenolsCoumarins and FuranocoumarinsNot AvailableBQPRWZCEKZLBHL-UHFFFAOYSA-Npimpinellin246.2181.55e-01 g/l2.000.0Show Entry
Psoralen PHUB000244186.031694053C11H6O3PolyphenolsCoumarins and FuranocoumarinsNot Available6,7-Furanocoumarin; FicusinZCCUUQDIBDJBTK-UHFFFAOYSA-Npsoralen186.1661.34e-01 g/l2.150.0Show Entry
Scoparone PHUB000245206.057908802C11H10O4PolyphenolsCoumarins and FuranocoumarinsNot AvailableDimethoxycoumarin; DimethylesculetinGUAFOGOEJLSQBT-UHFFFAOYSA-Nscoparone206.1974.06e-01 g/l1.800.0Show Entry
Scopoletin PHUB000246192.042258738C10H8O4PolyphenolsCoumarins and FuranocoumarinsNot Available6-Methoxyumbelliferone; 6-O-Methylesculetin; 7-Hydroxy-5-methoxycoumarin; Chrysatropic acid; Gelseminic acidRODXRVNMMDRFIK-UHFFFAOYSA-Nscopoletin192.172.35e+00 g/l1.650.0Show Entry
Scopolin PHUB000247354.09508216C16H18O9PolyphenolsCoumarins and FuranocoumarinsNot AvailableMurrayinSGTCGCCQZOUMJJ-YMILTQATSA-Nscopolin354.3115.61e+00 g/l-0.560.0Show Entry
Seselin PHUB000248228.078644246C14H12O3PolyphenolsCoumarins and FuranocoumarinsNot AvailableAmyrolinQUVCQYQEIOLHFZ-UHFFFAOYSA-N8,8-dimethylpyrano[2,3-h]chromen-2-one228.2474.00e-02 g/l3.000.0Show Entry
Sphondin PHUB000249216.042258738C12H8O4PolyphenolsCoumarins and FuranocoumarinsNot AvailableDLCJNIBLOSKIQW-UHFFFAOYSA-N6-methoxyfuro[2,3-h]chromen-2-one216.1921.56e-01 g/l2.070.0Show Entry
Umbelliferone PHUB000250162.031694053C9H6O3PolyphenolsCoumarins and FuranocoumarinsNot Available7-Hydroxycoumarin; Dichrin A; Hydrangin; SkimmetinORHBXUUXSCNDEV-UHFFFAOYSA-Numbelliferone162.1444.38e+00 g/l1.850.0Carrot / Celery stalks / Coriander / Cumin / Dill / Fennel / Parsley / Parsnip4-Methylumbelliferone glucuronide / 4-Methylumbelliferone sulfateShow Entry
Xanthotoxin PHUB000251216.042258738C12H8O4PolyphenolsCoumarins and FuranocoumarinsNot Available8-Methoxypsoralen; Ammoidin; MethoxsalenQXKHYNVANLEOEG-UHFFFAOYSA-Nmethoxsalen216.1921.64e-01 g/l2.100.0Show Entry
Xanthotoxol PHUB000252202.026608673C11H6O4PolyphenolsCoumarins and FuranocoumarinsNot AvailableJWVYQQGERKEAHW-UHFFFAOYSA-Nxanthotoxol202.1657.77e-01 g/l1.900.0Show Entry
Isobergapten PHUB000253216.042258738C12H8O4PolyphenolsCoumarins and FuranocoumarinsNot AvailableAJSPSRWWZBBIOR-UHFFFAOYSA-N5-methoxyfuro[2,3-h]chromen-2-one216.1921.55e-01 g/l2.060.0Show Entry
Paradisin A PHUB000254726.304012301C42H46O11PolyphenolsCoumarins and FuranocoumarinsNot AvailableAGWWNHLHAZTYCS-WFOJNGAISA-N4-{[(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-one726.8195.26e-03 g/l6.580.0Show Entry
6',7'-Dihydroxybergamottin PHUB000255372.157288493C21H24O6PolyphenolsCoumarins and FuranocoumarinsNot Available6,7-DihydroxybergamottinIXZUPBUEKFXTSD-JYRVWZFOSA-N4-{[(2Z)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one372.4174.41e-02 g/l3.400.0Show Entry
Paradisin C PHUB000256726.304012301C42H46O11PolyphenolsCoumarins and FuranocoumarinsNot AvailableXJFYVHQSQCXVIW-LVSXPEEVSA-N4-{[(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-one726.8195.85e-03 g/l6.590.0Show Entry
Herniarin PHUB000257176.047344118C10H8O3PolyphenolsCoumarins and FuranocoumarinsNot Available7-Methoxy-2H-chromen-2-oneLIIALPBMIOVAHH-UHFFFAOYSA-Nmethylumbelliferone176.1714.99e-01 g/l1.880.0Show Entry
Byakangelicin PHUB000258334.10525292C17H18O7PolyphenolsCoumarins and FuranocoumarinsNot AvailablePKRPFNXROFUNDE-LLVKDONJSA-Nbyakangelicin334.3243.26e-01 g/l1.790.0Show Entry
Bergaptol PHUB000259202.026608673C11H6O4PolyphenolsCoumarins and FuranocoumarinsNot AvailableGIJHDGJRTUSBJR-UHFFFAOYSA-Nbergaptol202.1658.88e-01 g/l1.860.0GrapefruitShow Entry
Paradisin B PHUB000260708.293447617C42H44O10PolyphenolsCoumarins and FuranocoumarinsNot AvailableZXUKAZPCOMPMHC-CXLQOVKTSA-N4-{[(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-one708.8042.97e-03 g/l6.980.0Show Entry
(+)-Catechin PHUB000261290.079038171C15H14O6PolyphenolsFlavonoidsFlavanols3,5,7,3',4'-PentahydroxyflavanePFTAWBLQPZVEMU-CFMCSPIPSA-N(3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol290.2716.45e-01 g/l1.020.0Apple / ApricotShow Entry
(-)-Epicatechin   PHUB000262290.079038171C15H14O6PolyphenolsFlavonoidsFlavanols3,5,7,3',4'-PentahydroxyflavanePFTAWBLQPZVEMU-AFYYWNPRSA-N490-46-0(3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol290.2716.45e-01 g/l1.020.0Apple / 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 acidShow Entry
(-)-Epicatechin 3-O-gallate PHUB000263442.08999678C22H18O10PolyphenolsFlavonoidsFlavanolsLSHVYAFMTMFKBA-TZIWHRDSSA-N(-)-epicatechin 3-O-gallate442.3764.43e-02 g/l2.550.0(Epi)catechin 3-O-gallate O-sulfate / O-Methyl(epi)catechin-3-O-gallate O-sulfateShow Entry
(-)-Epigallocatechin PHUB000264306.073952791C15H14O7PolyphenolsFlavonoidsFlavanolsXMOCLSLCDHWDHP-KEKZHRQWSA-N(3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol306.278.71e-01 g/l0.710.0Apricot(Epi)gallocatechin O-glucuronide / (Epi)gallocatechin O-sulfate / 4'-O-methyl(epi)gallocatechin O-glucuronide / 4'-O-Methyl(epi)gallocatechin O-sulfateShow Entry
(-)-Epigallocatechin 3-O-gallate PHUB000265458.0849114C22H18O11PolyphenolsFlavonoidsFlavanolsWMBWREPUVVBILR-ITUIMRKVSA-N(3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate458.3757.28e-02 g/l2.380.0(Epi)gallocatechin-3-O-gallate O-sulfate / O-Methyl(epi)gallocatechin-3-O-gallate O-sulfateShow Entry
(+)-Catechin 3-O-gallate PHUB000266442.08999678C22H18O10PolyphenolsFlavonoidsFlavanolsLSHVYAFMTMFKBA-PZJWPPBQSA-Ncatechin 3-O-gallate442.3764.43e-02 g/l2.550.0Show Entry
(+)-Catechin 3-O-glucose PHUB000267452.131861593C21H24O11PolyphenolsFlavonoidsFlavanolsYOVYWMDLYSJYPO-UHFFFAOYSA-N2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol452.4122.26e+00 g/l-0.020.0Show Entry
(+)-Gallocatechin PHUB000268306.073952791C15H14O7PolyphenolsFlavonoidsFlavanolsXMOCLSLCDHWDHP-SWLSCSKDSA-N(+)-gallocatechin306.278.71e-01 g/l0.710.0Show Entry
(+)-Gallocatechin 3-O-gallate PHUB000269458.0849114C22H18O11PolyphenolsFlavonoidsFlavanolsWMBWREPUVVBILR-ITUIMRKVSA-N(3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate458.3757.28e-02 g/l2.380.0AppleShow Entry
Afzelechin PHUB000270274.084123551C15H14O5PolyphenolsFlavonoidsFlavanols3,5,7,4'-tetrahydroxyflavanRSYUFYQTACJFML-CFMCSPIPSA-N(3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol274.2724.63e-01 g/l1.290.0Show Entry
Cinnamtannin B1 PHUB000271864.190164319C45H36O18PolyphenolsFlavonoidsFlavanolsBYSRPHRKESMCPO-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-pentol864.7651.64e-01 g/l3.540.0Show Entry
Cinnamtannin D1 PHUB000272864.190164319C45H36O18PolyphenolsFlavonoidsFlavanolsBYSRPHRKESMCPO-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-pentol864.7651.64e-01 g/l3.540.0Show Entry
Cinnamtannin A2 PHUB0002731154.26920249C60H50O24PolyphenolsFlavonoidsFlavanolsEC-(4b,8)-EC-(4b,8)-EC-(4b,8)-EC; Tetramer DQFLMUASKTWGRQE-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-triol1155.0365.76e-01 g/l4.050.0Show Entry
Epigallocatechin-(4b,8)-epicatechin-3-O-gallate ester PHUB000274746.148299506C37H30O17PolyphenolsFlavonoidsFlavanolsLQQNPVZIFKLQPE-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-trihydroxybenzoate746.631.11e-01 g/l3.210.0Show Entry
Procyanidin dimer A2 PHUB000275576.126776213C30H24O12PolyphenolsFlavonoidsFlavanolsEpicatechin-(2b,7)(4b,8)-epicatechin; Proanthocyanidin A2; Procyanidin A2NSEWTSAADLNHNH-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-pentol576.511.27e-01 g/l2.430.0Benzoic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyphenylacetic acid / Phenylacetic acid / 3-Phenylpropionic acid / 3',4'-Dihydroxyphenylacetic acid / 4'-Hydroxyphenylacetic acidShow Entry
Procyanidin dimer B1 PHUB000276578.142426277C30H26O12PolyphenolsFlavonoidsFlavanolsEpicatechin-(4b,8)-catechinXFZJEEAOWLFHDH-UKWJTHFESA-Nprocyanidin B1578.5261.38e-01 g/l2.290.0AppleShow Entry
Procyanidin dimer B2 PHUB000277578.142426277C30H26O12PolyphenolsFlavonoidsFlavanolsEpicatechin-(4b,8)-epicatechinXFZJEEAOWLFHDH-NFJBMHMQSA-Nprocyanidin B2578.5261.38e-01 g/l2.290.0Apple(-)-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 B2Show Entry
Procyanidin dimer B3 PHUB000278578.142426277C30H26O12PolyphenolsFlavonoidsFlavanolsCatechin-(4a,8)-catechinXFZJEEAOWLFHDH-AVFWISQGSA-Nprocyanidin B3578.5261.38e-01 g/l2.290.0Show Entry
Procyanidin dimer B4 PHUB000279578.142426277C30H26O12PolyphenolsFlavonoidsFlavanolsCatechin-(4a,8)-epicatechin; Procyanidin B4XFZJEEAOWLFHDH-VUGKQVTMSA-Nprocyanidin B4578.5261.38e-01 g/l2.290.0Show Entry
Procyanidin dimer B5 PHUB000280578.142426277C30H26O12PolyphenolsFlavonoidsFlavanolsEpicaetchin-(4b,6)-epicatechinGMISZFQPFDAPGI-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-triol578.5261.31e-01 g/l2.310.0(Epi)catechinShow Entry
Procyanidin dimer B7 PHUB000281578.142426277C30H26O12PolyphenolsFlavonoidsFlavanolsEpicatechin-(4,6)-catechinGMISZFQPFDAPGI-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-triol578.5261.31e-01 g/l2.310.0Show Entry
Procyanidin trimer C1 PHUB000282866.205814384C45H38O18PolyphenolsFlavonoidsFlavanolsEpicatechin-(4b,8)-epicatechin-(4b,8)-epicatechinMOJZMWJRUKIQGL-XILRTYJMSA-Nproanthocyanidin C1866.7812.47e-01 g/l3.380.0AppleShow Entry
Procyanidin trimer C2 PHUB000283866.205814384C45H38O18PolyphenolsFlavonoidsFlavanolsCatechin-(4,8)-catechin-(4,8)-catechinMOJZMWJRUKIQGL-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-triol866.7812.47e-01 g/l3.380.0Show Entry
Prodelphinidin dimer B3 PHUB000284594.137340897C30H26O13PolyphenolsFlavonoidsFlavanolsDimer GC-C; Gallocatechin-(4,8)-catechinZYDDITZPGFXQSD-SMSOEIQDSA-N594.5250.0Show Entry
Theaflavin PHUB000285564.126776213C29H24O12PolyphenolsFlavonoidsFlavanolsIPMYMEWFZKHGAX-HFJQIFDKSA-N3,4,6-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-one564.4992.19e-01 g/l1.840.0Show Entry
Theaflavin 3,3'-O-digallate PHUB000286868.14869343C43H32O20PolyphenolsFlavonoidsFlavanolsZEASWHWETFMWCV-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-trihydroxybenzoate868.7091.04e-01 g/l3.780.0Show Entry
Theaflavin 3'-O-gallate PHUB000287716.137734822C36H28O16PolyphenolsFlavonoidsFlavanolsGPLOTACQBREROW-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-trihydroxybenzoate716.6041.23e-01 g/l3.030.0Show Entry
Theaflavin 3-O-gallate PHUB000288716.137734822C36H28O16PolyphenolsFlavonoidsFlavanolsKMJPKUVSXFVQGZ-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-trihydroxybenzoate716.6041.21e-01 g/l3.020.0Show Entry
Theasinensin A PHUB000289914.154172735C44H34O22PolyphenolsFlavonoidsFlavanolsYUULFXAQUWEYNP-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-trihydroxybenzoate914.7341.46e-01 g/l3.480.0Show Entry
2,3-Dihydroxybenzoic acid PHUB000290154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxybenzoic acidso-Pyrocatechuic acidGLDQAMYCGOIJDV-UHFFFAOYSA-N2,3-dihydroxy-benzoic acid154.1216.88e+00 g/l1.420.0Show Entry
2,4-Dihydroxybenzoic acid PHUB000291154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxybenzoic acidsUIAFKZKHHVMJGS-UHFFFAOYSA-N2,4-dihydroxybenzoic acid154.1211.24e+01 g/l1.230.0Show Entry
2,6-Dihydroxybenzoic acid PHUB000292154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxybenzoic acidsAKEUNCKRJATALU-UHFFFAOYSA-N2,6-dihydroxybenzoic acid154.1217.49e+00 g/l1.280.0Show Entry
3,5-Dihydroxybenzoic acid PHUB000293154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxybenzoic acids5-Carboxyresorcinol; α-Resorcylic acidUYEMGAFJOZZIFP-UHFFFAOYSA-N3,5-dihydroxybenzoic acid154.1211.20e+01 g/l1.290.0Show Entry
3-Hydroxybenzoic acid PHUB000294138.031694053C7H6O3PolyphenolsPhenolic acidsHydroxybenzoic acidsm-Hydroxybenzoic acidIJFXRHURBJZNAO-UHFFFAOYSA-N3-hydroxybenzoic acid138.1221.02e+01 g/l1.810.0Cyanidin 3-O-glucoside / Caffeic acid / Chlorogenic acid / Ferulic acidShow Entry
4-Hydroxybenzoic acid PHUB000295138.031694053C7H6O3PolyphenolsPhenolic acidsHydroxybenzoic acidsp-Hydroxybenzoic acidFJKROLUGYXJWQN-UHFFFAOYSA-NP-hydroxybenzoic acid138.1221.19e+01 g/l1.580.0Cyanidin 3-O-glucoside / Orange flavanonesShow Entry
4-Hydroxybenzoic acid 4-O-glucoside PHUB000296300.084517475C13H16O8PolyphenolsPhenolic acidsHydroxybenzoic acidsXSSDYIMYZONMBL-UHFFFAOYSA-N4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid300.2631.52e+01 g/l-0.990.0Show Entry
Benzoic acid PHUB000297122.036779433C7H6O2PolyphenolsPhenolic acidsHydroxybenzoic acidsWPYMKLBDIGXBTP-UHFFFAOYSA-Nbenzoic acid122.1237.08e+00 g/l1.720.0Procyanidin dimer A2 / Caftaric acid / Chlorogenic acid / Coumaric acid (p-) / QuercetinShow Entry
Ellagic acid PHUB000298302.006267153C14H6O8PolyphenolsPhenolic acidsHydroxybenzoic acidsBenzoaric acid; Gallic acid dimer; LagistaseAFSDNFLWKVMVRB-UHFFFAOYSA-Nellagic acid302.1948.23e-01 g/l1.590.0Common walnut / Cranberry / Grapes / Peach / Pecan nut / Pomegranate / Red raspberry / StrawberryUrolithin 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 DShow Entry
Ellagic acid acetyl-arabinoside PHUB000299476.059090575C21H16O13PolyphenolsPhenolic acidsHydroxybenzoic acids4-Acetyl-arabinosyl-ellagic acid; Ellagic acid 4-(4''-acetyl)-α-D-arabinopyranosideHRUPKKAITRRGMV-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 acetate476.3462.13e+00 g/l1.440.0Show Entry
Ellagic acid acetyl-xyloside PHUB000300476.059090575C21H16O13PolyphenolsPhenolic acidsHydroxybenzoic acids4-Acetyl-xylosyl-ellagic acid; Ellagic acid 4-(4''-acetyl)-α-D-xylopyranosideHRUPKKAITRRGMV-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 acetate476.3462.13e+00 g/l1.440.0Show Entry
Ellagic acid arabinoside PHUB000301434.048525891C19H14O12PolyphenolsPhenolic acidsHydroxybenzoic acids4-Arabinosyl-ellagic acid; Ellagic acid 4-α-L-arabinofuranosideKNURQRIPZJJYQO-FYZLSVPNSA-N7,13,14-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-dione434.3093.40e+00 g/l0.770.0Show Entry
Ellagic acid glucoside PHUB000302464.059090575C20H16O13PolyphenolsPhenolic acidsHydroxybenzoic acidsDOPSJTNYZLQUNU-XQKIPRNGSA-N7,13,14-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-dione464.3354.74e+00 g/l0.170.0Show Entry
Gallic acid PHUB000303170.021523293C7H6O5PolyphenolsPhenolic acidsHydroxybenzoic acids3,4,5-Trihydroxybenzoic acidLNTHITQWFMADLM-UHFFFAOYSA-Ngalop170.124.94e+00 g/l1.170.0AppleShow Entry
Digallic acid PHUB000304322.032481902C14H10O9PolyphenolsPhenolic acidsHydroxybenzoic acidsGallic acid 3-O-gallateCOVFEVWNJUOYRL-UHFFFAOYSA-Ndigallic acid322.2252.57e-01 g/l2.280.0Show Entry
Gallic acid 4-O-glucoside PHUB000305332.074346715C13H16O10PolyphenolsPhenolic acidsHydroxybenzoic acidsYPSNWSNUXIIKHO-YANYRWCTSA-N3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid332.2612.04e+01 g/l-1.100.0Show Entry
Gallic acid ethyl ester PHUB000306198.052823422C9H10O5PolyphenolsPhenolic acidsHydroxybenzoic acidsEthyl gallateVFPFQHQNJCMNBZ-UHFFFAOYSA-Nethyl gallate198.1743.42e+00 g/l1.480.0Show Entry
Galloyl glucose PHUB000307332.074346715C13H16O10PolyphenolsPhenolic acidsHydroxybenzoic acidsKGHSLXLLBHRMML-PHSPRSPYSA-N(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl 3,4,5-trihydroxybenzoate332.2612.02e+01 g/l-0.710.0Show Entry
Gentisic acid PHUB000308154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxybenzoic acids2,5-Dihydroxybenzoic acid; 5-Hydroxysalicylic acidWXTMDXOMEHJXQO-UHFFFAOYSA-N2,5-dihydroxybenzoic acid154.1211.23e+01 g/l1.230.0Show Entry
Guaiacol PHUB000309124.052429498C7H8O2PolyphenolsPhenolic acidsHydroxybenzoic acids2-Methoxyphenol; MethylcatecholLHGVFZTZFXWLCP-UHFFFAOYSA-Nguaiacol124.1396.74e+01 g/l1.320.0Show Entry
Protocatechuic acid   PHUB000310154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxybenzoic acids3,4-Dihydroxybenzoic acidYQUVCSBJEUQKSH-UHFFFAOYSA-N3,4-dihydroxybenzoic acid154.1211.24e+01 g/l1.320.0ApricotShow Entry
Protocatechuic acid 4-O-glucoside PHUB000311316.079432095C13H16O9PolyphenolsPhenolic acidsHydroxybenzoic acidsHFFREILXLCWCQH-UHFFFAOYSA-N3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid316.2621.67e+01 g/l-0.940.0Show Entry
Salicylic acid PHUB000312138.031694053C7H6O3PolyphenolsPhenolic acidsHydroxybenzoic acids2-Hydroxybenzoic acid; o-Hydroxybenzoic acidYGSDEFSMJLZEOE-UHFFFAOYSA-Nsalicylic138.1221.13e+01 g/l1.960.0Show Entry
Syringic acid PHUB000313198.052823422C9H10O5PolyphenolsPhenolic acidsHydroxybenzoic acids3,5-Dimethoxy-4-hydroxybenzoic acidJMSVCTWVEWCHDZ-UHFFFAOYSA-Nsyringic acid198.1743.71e+00 g/l1.550.0Malvidin-3-O-glucosideShow Entry
Theogallin PHUB000314344.074346715C14H16O10PolyphenolsPhenolic acidsHydroxybenzoic acids3-Galloylquinic acid; 5-O-Galloylquinic acidLDPLFHGGZNSKDS-FTBFGRRBSA-Ntheogallin344.2721.28e+01 g/l-0.400.0Show Entry
Valoneic acid dilactone PHUB000315470.012140382C21H10O13PolyphenolsPhenolic acidsHydroxybenzoic acidsBPAOAXAAABIQKR-UHFFFAOYSA-N3,4,5-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 acid470.2981.20e-01 g/l2.610.0Show Entry
Vanillic acid   PHUB000316168.042258738C8H8O4PolyphenolsPhenolic acidsHydroxybenzoic acids4-Hydroxy-3-methoxybenzoic acid; p-Vanillic acidWKOLLVMJNQIZCI-UHFFFAOYSA-Nvanillic acid168.1485.70e+00 g/l1.700.0Strawberry / Vanilla / White wineShow Entry
Viniferin (delta-) PHUB000317454.141638428C28H22O6PolyphenolsStilbenesNot AvailableMaximol A; trans-Gamma-viniferinLILPTCHQLRKZNG-LPGNHZEISA-N5-[(2S,3S)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol454.4782.10e-03 g/l4.560.0Red wine / rhubarb roottrans-δ-viniferin glucuronide / trans-δ-viniferin sulphateShow Entry
Viniferin (Epsilon-) PHUB000318454.141638428C28H22O6PolyphenolsStilbenesNot AvailableEpsilon-viniferin; Viniferin (Epsilon-)FQWLMRXWKZGLFI-YVYUXZJTSA-Nepsilon-viniferin454.4782.39e-03 g/l4.520.0Red wine / rhubarb root / Rosé wine / White wineε-viniferin glucuronideShow Entry
Pallidol PHUB000319454.141638428C28H22O6PolyphenolsStilbenesNot AvailableYNVJOQCPHWKWSO-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-tetrol454.4785.64e-03 g/l3.710.0Grape wine / Red wine / rhubarb rootShow Entry
Piceatannol   PHUB000320244.073558866C14H12O4PolyphenolsStilbenesNot Available3,4,3',5'-Tetrahydroxystilbene; AstringininCDRPUGZCRXZLFL-OWOJBTEDSA-N4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol244.2469.70e-02 g/l2.120.0Almond / 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 grapeRhapontigenin / Isorhapontigenin / Piceatannol-diglucuronide / Piceatannol-glucuronide / O-methyl piceatannol-monoglucuronide / O-methyl piceatannol-monosulfate / piceatannol-disulfate / piceatannol-sulfateShow Entry
Piceatannol 3-O-glucoside PHUB000321406.126382288C20H22O9PolyphenolsStilbenesNot AvailableAstringin; Astringinin 3-O-glucosidePERPNFLGJXUDDW-CUYWLFDKSA-Nastringin406.3877.35e-01 g/l0.440.0Red wine / White wineShow Entry
Pinosylvin PHUB000322212.083729626C14H12O2PolyphenolsStilbenesNot Available3,5-Dihydroxystilbene; Stilbene-3,5-diolYCVPRTHEGLPYPB-VOTSOKGWSA-Npinosylvin212.2484.81e-02 g/l3.280.0Grape / PeanutResveratrol (trans-) / Resveratrol (cis-) / Pinosylvin-glucuronideShow Entry
Pterostilbene PHUB000323256.109944375C16H16O3PolyphenolsStilbenesNot Available3,5-Dimethyl-resveratrolVLEUZFDZJKSGMX-ONEGZZNKSA-Npterostilbene256.3011.10e-02 g/l3.480.0Blueberry / Coffee / Deerberry / Grape juice / Grape wine / Green tea / Red champagne / Red wine / White champagne / White winePterostilbene-glucuronide / Pterostilbene sulfate / Mono-demethylated pterostilbene / Mono-demethylated pterostilbene glucuronide / Mono-demethylated pterostilbene sulfate / Mono-hydroxylated pterostilbene / Mono-hydroxylated pterostilbene glucuronide / Mono-hydroxylated pterostilbene sulfate / Mono-hydroxylated pterostilbene glucuronide sulfate / PinostilbeneShow Entry
Resveratrol (trans-)   PHUB000324228.078644246C14H12O3PolyphenolsStilbenesNot Available(E)-resveratrol; 3,5,4'-TrihydroxystilbeneLUKBXSAWLPMMSZ-OWOJBTEDSA-Nresveratrol228.2476.88e-02 g/l2.570.0Apple 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 grapePiceatannol / Piceid (trans-) / Resveratrol (cis-) / Dihydro-resveratrol / trans-Resveratrol 3-O-glucuronide / trans-Resveratrol 3-O-sulfate / Dihydro-resveratrol-3-O-glucuronide / trans-resveratrol-5-O-glucuronide / trans-Resveratrol-4′-O-glucuronide / resveratrol-4′-O-sulfate / resveratrol sulfate glucuronide / trans-Resveratrol-3,5-disulfate / trans-Resveratrol-3,4′-disulfate / trans-Resveratrol-3,4′,5-trisulfate / Dihydro-resveratrol-trisulfate / Resveratrol ribosyl sulfate / Dihydro-resveratrol-3,5-diglucuronide / Dihydro-resveratrol-sulfoglucuronide / 5-methoxyresveratrol-3-O-β-glucoside / 5-methoxyresveratrol-3-O-sulphate / Dihydro-resveratrol-disulfate / Resveratrol-glucoside-phosphate-glycerol / Piceid-glucuronide / Piceid-sulfate / resveratrol-glucoside-phosphate / Lunularine / 3,4'-dihydroxy-trans-stilbene / cis-Resveratrol-3-sulfate / cis-Resveratrol-4'-sulfate / cis-Resveratrol-3-O-glucuronide / cis-Resveratrol-4'-O-glucuronide / Resveratroloside / Dihydro-resveratrol-sulfate / Dihydro-resveratrol-glucuronide / trans-resveratrol-4'-O-β-sulfate / Resveratrol disulfate / resveratrol glucuronide / resveratrol sulfateShow Entry
Piceid (trans-)   PHUB000325390.131467668C20H22O8PolyphenolsStilbenesNot AvailablePolydatin; Resveratrol 3-O-glucosideHSTZMXCBWJGKHG-CUYWLFDKSA-Npiceid390.3887.66e-01 g/l0.650.0Almond / 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 wineResveratrol (trans-) / Piceid (cis-) / Dihydro-resveratrol / trans-Resveratrol 3-O-sulfate / resveratrol-3-O-glucuronide / trans-resveratrol-5-O-glucuronide / trans-Resveratrol-4′-O-glucuronide / trans-Resveratrol-3,5-disulfate / trans-Resveratrol-3,4′-disulfate / Piceid-glucuronide / Piceid-sulfate / trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide / trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide / dihydro-piceid / resveratrol-sulfate / Dihydro-resveratrol-sulfateShow Entry
Resveratrol 5-O-glucoside PHUB000326390.131467668C20H22O8PolyphenolsStilbenesNot AvailableHSTZMXCBWJGKHG-CUYWLFDKSA-Npiceid390.3887.66e-01 g/l0.650.0Lentil coatShow Entry
Rhapontigenin   PHUB000327258.089208931C15H14O4PolyphenolsStilbenesNot Available3,3′,5′-Trihydroxy-4-methoxystilbene; RHAPHMHDRYYFAYWEG-NSCUHMNNSA-N5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol258.2734.82e-02 g/l2.640.0Garden rhubarbrhapontigenin glucuronideShow Entry
Isorhapontigenin   PHUB000328258.089208931C15H14O4PolyphenolsStilbenesNot Available4,3′,5′-Trihydroxy-3-methoxystilbene; ISORANNNBEZJTNCXHY-NSCUHMNNSA-N5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol258.2734.66e-02 g/l2.640.0Garden rhubarb / Grape wineShow Entry
Viniferin 3',5'-diglucoside (Epsilon-) PHUB000329778.247285272C40H42O16PolyphenolsStilbenesNot AvailableRPVPDEHWWUFGBW-DAFODLJHSA-N2-{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-triol778.761.51e-01 g/l1.760.0Riesling wineShow Entry
Pallidol 3-O-glucoside PHUB000330616.19446185C34H32O11PolyphenolsStilbenesNot AvailableLVYZAJNLNYSPIX-ARVGUIPYSA-N2-(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-triol616.6191.07e-01 g/l2.550.0Riesling wineShow Entry
Pallidol 3, 3''-diglucoside PHUB000331778.247285272C40H42O16PolyphenolsStilbenesNot AvailableBYOGHJOVDNNJNN-OGXFPDPYSA-N2-{[(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-triol778.763.89e-01 g/l1.520.0Riesling wineShow Entry
2,4,6-Trihydroxyphenanthrene 2-O-glucoside PHUB000332388.115817604C20H20O8PolyphenolsStilbenesNot AvailableOLRKGPYAYTYJGF-UHFFFAOYSA-N2-[(4,6-dihydroxyphenanthren-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol388.3721.15e+00 g/l0.700.0Riesling wineShow Entry
Oxyresveratrol   PHUB000333244.073558866C14H12O4PolyphenolsStilbenesNot Available2,3',4,5'-Tetrahydroxy-trans-stilbenePDHAOJSHSJQANO-OWOJBTEDSA-Noxyresveratrol244.2461.02e-01 g/l2.060.0Almond / Jackfruit / Mulberry / Red wine / Rosé wine / White mulberry / White wineShow Entry
Piceid (cis-)   PHUB000334390.131467668C20H22O8PolyphenolsStilbenesNot Availablecis-resveratrol 3-beta-glucoside; Z-PICEIDHSTZMXCBWJGKHG-MWQIQHPGSA-N(2S,4S,5S)-2-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol390.3887.66e-01 g/l0.650.0Apple / Beer / Garden tomato / Lingonberry / Pistachio / Red grape juice / Red wine / Rosé wine / Strawberry / White grape juice / White wineResveratrol (cis-)Show Entry
Resveratrol (cis-)   PHUB000335228.078644246C14H12O3PolyphenolsStilbenesNot Available(Z)-resveratrol; cis-3,4',5-trihydroxystilbeneLUKBXSAWLPMMSZ-UPHRSURJSA-Ncis-resveratrol228.2476.88e-02 g/l2.570.0Apple 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 grapePiceid (cis-)Show Entry
Oxyresveratrol (cis-) PHUB000336244.073558866C14H12O4PolyphenolsStilbenesNot Availablecis-OxyresveratrolPDHAOJSHSJQANO-UPHRSURJSA-N4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol244.2461.02e-01 g/l2.060.0Red wine / Rosé wine / White wineShow Entry
Piceatannol (cis-) PHUB000337244.073558866C14H12O4PolyphenolsStilbenesNot AvailableCDRPUGZCRXZLFL-UPHRSURJSA-N4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol244.2469.70e-02 g/l2.120.0Red wine / Rosé wine / White wineShow Entry
Viniferin (cis-Epsilon-) PHUB000338454.141638428C28H22O6PolyphenolsStilbenesNot Available(-)-epsilon-Viniferin; Iso-[epsilon]-viniferinFQWLMRXWKZGLFI-HQAJZZHBSA-N5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol454.4782.39e-03 g/l4.520.0Red wineShow Entry
Resveratrol 4'-glucoside PHUB000339390.131467668C20H22O8PolyphenolsStilbenesNot AvailableRUOKEYJFAJITAG-QBPIKYQOSA-N(2S,4S,6R)-2-{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol390.3886.64e-01 g/l0.690.0Show Entry
Viniferin-alpha PHUB000340678.188982546C42H30O9PolyphenolsStilbenesNot AvailableKUTVNHOAKHJJFL-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-triol678.6932.36e-03 g/l5.910.0Riesling wineShow Entry
Parthenocissin A PHUB000341454.141638428C28H22O6PolyphenolsStilbenesNot AvailableBIQMSWPBPAKGSE-RVMRZQENSA-N(1Z,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol454.4783.36e-03 g/l4.080.0Red wineShow Entry
Miyabenol C PHUB000342680.20463261C42H32O9PolyphenolsStilbenesNot AvailableRKFYYCKIHVEWHX-ZSIDMBOMSA-N5-{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-diol680.7091.10e-03 g/l5.950.0Show Entry
Antheraxanthin PHUB000343584.422945663C40H56O3TerpenoidsCarotenoidsNot AvailableOFNSUWBAQRCHAV-OYQUVCAXSA-N640-03-9antheraxanthin584.8856.58e-04 g/l8.370.0Paprika / Pepper C. annuumShow Entry
Astaxanthin PHUB000344596.386560154C40H52O4TerpenoidsCarotenoidsNot AvailableMQZIGYBFDRPAKN-UWFIBFSHSA-N472-61-7astaxanthin596.8526.67e-04 g/l7.400.0Crustaceans / Pink salmonShow Entry
Canthaxanthin PHUB000345564.396730914C40H52O2TerpenoidsCarotenoidsNot AvailableFDSDTBUPSURDBL-DKLMTRRASA-N514-78-3canthaxanthin564.8544.61e-04 g/l8.710.0Common mushroomShow Entry
Capsanthin PHUB000346584.422945663C40H56O3TerpenoidsCarotenoidsNot AvailableVYIRVAXUEZSDNC-RDJLEWNRSA-N465-42-9paprika extract584.8856.77e-04 g/l8.200.0Paprika / Pepper C. annuumShow Entry
Capsorubin PHUB000347600.417860283C40H56O4TerpenoidsCarotenoidsNot AvailableGVOIABOMXKDDGU-YUURSNASSA-N470-38-2capsorubin600.8847.28e-04 g/l7.430.0Paprika / Pepper C. annuumShow Entry
Carotene 5,6-epoxide (beta-) PHUB000348552.433116423C40H56OTerpenoidsCarotenoidsNot Available5,6-Epoxy-beta-caroteneRVCRIPILOFSMFG-WWSVUWEKSA-Nβ-carotene 5,6-epoxide552.8872.46e-04 g/l9.830.0Apple / Mango / Papaya / Sweet orangeShow Entry
Carotene-alpha PHUB000349536.438201792C40H56TerpenoidsCarotenoidsNot AvailableCarotene ((6'R)-beta,epsilon-)ANVAOWXLWRTKGA-NTXLUARGSA-N432-70-21,3,3-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-ene536.87263.07e-04 g/l9.790.0Banana / Broccoli / Carrot / Common pea / Garden tomato / Pepper C. annuumShow Entry
Carotene-beta PHUB000350536.438201803C40H56TerpenoidsCarotenoidsNot AvailableCaroteneOENHQHLEOONYIE-JLTXGRSLSA-N7235-40-7β-carotene536.8883.91e-04 g/l9.720.0Apricot / 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 / WatermelonShow Entry
Carotene-gamma PHUB000351536.438201803C40H56TerpenoidsCarotenoidsNot AvailableHRQKOYFGHJYEFS-BXOLYSJBSA-N472-93-5gamma-carotene536.8883.77e-04 g/l9.590.0Apricot / Carrot / Common persimmon / Corn / Garden tomato / Pepper C. annuumShow Entry
Carotene-zeta PHUB000352540.469501932C40H60TerpenoidsCarotenoidsNot AvailableBIWLELKAFXRPDE-WTXAYMOSSA-N72746-33-9all-trans-zeta-carotene540.923.37e-04 g/l9.380.0Apple / Carrot / Corn / Garden tomato / Papaya / Sweet orange / Vaccinium (Blueberry, Cranberry, Huckleberry)Show Entry
Crocetin PHUB000353328.167459253C20H24O4TerpenoidsCarotenoidsNot AvailablePANKHBYNKQNAHN-MQQNZMFNSA-N27876-94-4crocetin328.4085.58e-03 g/l4.540.0SaffronShow Entry
Crocin PHUB000354976.378752941C44H64O24TerpenoidsCarotenoidsNot AvailableCrocetin digentiobioside; Crocin-alphaSEBIKDIMAPSUBY-RTJKDTQDSA-Nbis[(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-heptaenedioate976.9725.67e-01 g/l-0.020.0SaffronShow Entry
Cryptoxanthin-alpha PHUB000355552.433116423C40H56OTerpenoidsCarotenoidsNot AvailableORAKUVXRZWMARG-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-ol552.8875.14e-04 g/l9.100.0Apricot / Avocado / Corn / GrapefruitShow Entry
Cryptoxanthin-beta PHUB000356552.433116423C40H56OTerpenoidsCarotenoidsNot AvailableCaricaxanthin; Cryptoxanthin; CryptoxantholDMASLKHVQRHNES-FKKUPVFPSA-Ncryptoxanthin552.8875.03e-04 g/l9.080.0Apricot / Common sage / Corn / Dill / Guava / Mandarin orange (Clementine, Tangerine) / Mango / Orange juice / Papaya / Pepper C. annuum / Pineapple / Pumpkin / Sweet basil / Sweet orange / WatermelonShow Entry
Echinenone PHUB000357550.417466359C40H54OTerpenoidsCarotenoidsNot AvailableQXNWZXMBUKUYMD-QQGJMDNJSA-Nechinenone550.8714.61e-04 g/l9.220.0AlgaeShow Entry
Flavoxanthin PHUB000358584.422945663C40H56O3TerpenoidsCarotenoidsNot AvailableJRHJXXLCNATYLS-NGZWBNMCSA-Nflavoxanthin584.8857.82e-04 g/l8.130.0Elderberry / European plumShow Entry
Fucoxanthin PHUB000359658.423339588C42H58O6TerpenoidsCarotenoidsNot AvailableSJWWTRQNNRNTPU-XJUZQKKNSA-Nfucoxanthin658.925.75e-04 g/l7.540.0AlgaeShow Entry
Lactucaxanthin PHUB000360568.428031043C40H56O2TerpenoidsCarotenoidsNot AvailableBIPAHAFBQLWRMC-SUOWZELTSA-Nlactucaxanthin568.8868.14e-04 g/l8.310.0LettuceShow Entry
Lutein PHUB000361568.428031043C40H56O2TerpenoidsCarotenoidsNot AvailableKBPHJBAIARWVSC-RGZFRNHPSA-Ncarotenoid568.8867.32e-04 g/l8.290.0Apricot / 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 PHUB000362584.422945663C40H56O3TerpenoidsCarotenoidsNot AvailableTaraxanthinDYUUPIKEWLHQGQ-FJOIUHRLSA-Nlutein 5,6-epoxide584.8858.24e-04 g/l8.390.0GrapeShow Entry
Lycopene PHUB000363536.438201803C40H56TerpenoidsCarotenoidsNot Availableall-trans lycopeneOAIJSZIZWZSQBC-GYZMGTAESA-Nlycopene536.8883.97e-04 g/l9.160.0Cherry tomato / Fig / Garden tomato / Guava / Ketchup / Mango / Papaya / Persimmon / Pineapple / Pumpkin / WatermelonShow Entry
Lycoxanthin PHUB000364552.433116423C40H56OTerpenoidsCarotenoidsNot AvailableIFTRFNLCKUZSNG-SFEKFZNLSA-Nlycoxanthin552.8874.71e-04 g/l8.760.0Garden tomatoShow Entry
Mutatochrome PHUB000365552.433116423C40H56OTerpenoidsCarotenoidsNot Availablecarotene 5,8-epoxide (beta-)GFPJSSAOISEBQL-FZKBJVJCSA-Nmutatochrome552.8873.22e-04 g/l9.720.0Garden tomato / Papaya / Sweet orangeShow Entry
Neoxanthin PHUB000366600.41786028C40H56O4TerpenoidsCarotenoidsNot AvailablePGYAYSRVSAJXTE-MTYISEJWSA-Nall-trans-neoxanthin600.87028.77e-04 g/l7.850.0Apple / Common pea / Corn salad / Endive / European plum / Leek / Peach / Pepper C. annuum / Rocket salad / SpinachShow Entry
Physalien PHUB0003671044.887362215C72H116O4TerpenoidsCarotenoidsNot AvailableXACHQDDXHDTRLX-XLVVAOPESA-Nzeaxanthin dipalmitate1045.7166.15e-05 g/l11.010.0GroundcherryShow Entry
Rubixanthin PHUB000368552.433116423C40H56OTerpenoidsCarotenoidsNot Availablecarotene (3-hydroxy-gamma-)ABTRFGSPYXCGMR-AXXBKCDFSA-Nrubixanthin552.8875.23e-04 g/l8.920.0Mandarin orange (Clementine, Tangerine)Show Entry
Violaxanthin PHUB000369600.417860283C40H56O4TerpenoidsCarotenoidsNot AvailableZeaxanthin diepoxideSZCBXWMUOPQSOX-WVJDLNGLSA-Nviolaxanthin600.8845.68e-04 g/l8.330.0Algae / Common cabbage / Common pea / Corn salad / Endive / Leek / Lettuce / Mango / Paprika / Peach / Pepper C. annuum / Rocket salad / SpinachShow Entry
Zeaxanthin PHUB000370568.428031043C40H56O2TerpenoidsCarotenoidsNot AvailableJKQXZKUSFCKOGQ-QAYBQHTQSA-Nzeaxanthin568.8866.49e-04 g/l8.300.0Algae / Apricot / Carrot / Celeriac / Corn / Kale / Lettuce / Pepper C. annuum / SpinachShow Entry
6-Geranylnaringenin PHUB000371408.193674002C25H28O5PolyphenolsFlavonoidsFlavanones5,7,4'-Trihydroxy-6-geranylflavanone; Bonannione A; MimuloneXYIQIBWIEGCVQY-FRKPEAEDSA-Nbonannione A408.4943.39e-03 g/l4.840.0Show Entry
6-Prenylnaringenin   PHUB000372340.131073744C20H20O5PolyphenolsFlavonoidsMiscellaneous flavonoids5,7,4'-Trihydroxy-6-prenylflavanoneYHWNASRGLKJRJJ-UHFFFAOYSA-N5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one340.3751.53e-02 g/l3.170.0Show Entry
8-Prenylnaringenin   PHUB000373340.131073744C20H20O5PolyphenolsFlavonoidsMiscellaneous flavonoids5,7,4'-Trihydroxy-8-prenylflavanone; IsobavachinLPEPZZAVFJPLNZ-UHFFFAOYSA-Nsophoraflavanone B340.3751.55e-02 g/l3.230.0Show Entry
6,8-Diprenylnaringenin PHUB000374408.193674002C25H28O5PolyphenolsFlavonoidsFlavanonesLonchocarpol A; SenegalenseinHCNLDGTUMBOHKT-UHFFFAOYSA-N5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one408.4945.75e-03 g/l4.500.0Show Entry
Betagarin PHUB000375328.094688235C18H16O6PolyphenolsFlavonoidsFlavanonesIHPVFYLOGNNZLA-ZDUSSCGKSA-Nbetagarin328.324.62e-02 g/l2.200.0Show Entry
Didymin PHUB000376594.194855775C28H34O14PolyphenolsFlavonoidsFlavanonesIsosakuranetin 7-rutinosideRMCRQBAILCLJGU-SMCKTMTRSA-Ndidymin594.5662.01e+00 g/l-0.110.0Show Entry
Eriocitrin PHUB000377596.17412033C27H32O15PolyphenolsFlavonoidsFlavanonesEriodictyol 7-O-rutinosideOMQADRGFMLGFJF-GDRLQRQZSA-N2-(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-one596.5383.53e+00 g/l-0.350.0Lemon / LimeHesperetin / Dihydrocaffeic acid / Dihydrocaffeic acid glucuronide / Eriodictyol 7-O-glucuronide / Hesperetin glucuronide / Homoeriodictyol / Homoeriodictyol glucuronideShow Entry
Eriodictyol   PHUB000378288.063388106C15H12O6PolyphenolsFlavonoidsFlavanones5,7,3',4'-TetrahydroxyflavanoneSBHXYTNGIZCORC-UHFFFAOYSA-Neriodictyol288.2553.66e-01 g/l2.150.0Hesperetin / Dihydrocaffeic acid / Dihydrocaffeic acid glucuronide / Eriodictyol 7-O-glucuronide / Hesperetin glucuronide / Homoeriodictyol / Homoeriodictyol glucuronide / PhloroglucinolShow Entry
Eriodictyol 7-O-glucoside PHUB000379450.116211528C21H22O11PolyphenolsFlavonoidsFlavanonesRAFHNDRXYHOLSH-MMQMLBMASA-N2-(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-one450.3961.77e+00 g/l0.000.0Show Entry
Hesperetin   PHUB000380302.079038171C16H14O6PolyphenolsFlavonoidsFlavanones4'-Methyleriodictyol; 5,7,3'-Trihydroxy-4'-methoxyflavanoneAIONOLUJZLIMTK-UHFFFAOYSA-Nhesperetine302.2821.38e-01 g/l2.520.0Lemon / Lime / Orange juice / Sweet orangeEriodictyol / 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-glucuronideShow Entry
Hesperidin PHUB000381610.189770395C28H34O15PolyphenolsFlavonoidsFlavanonesCiratin; Hesperetin 7-O-rutinosideQUQPHWDTPGMPEX-LLHRBZKSSA-N5-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-one610.5652.69e+00 g/l-0.270.0Hesperetin / 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 acidShow Entry
Isosakuranetin PHUB000382286.084123551C16H14O5PolyphenolsFlavonoidsFlavanones4'-Methylnaringenin; CitrofoliolHMUJXQRRKBLVOO-UHFFFAOYSA-Nisosakuranetin286.2838.79e-02 g/l2.950.0Show Entry
Isosakuranin PHUB000383448.136946973C22H24O10PolyphenolsFlavonoidsFlavanonesKEEWIHDTSNESJZ-NKGQIIMOSA-Nisosakuranin448.4241.02e+00 g/l0.470.0Show Entry
Isoxanthohumol   PHUB000384354.146723808C21H22O5PolyphenolsFlavonoidsMiscellaneous flavonoids5-Methyl-8-prenylnaringenin; 7,4'-Dihydroxy-5-methoxy-8-prenylflavanoneYKGCBLWILMDSAV-UHFFFAOYSA-Nisoxanthohumol(sophora)354.4021.42e-02 g/l3.250.0Beer8-PrenylnaringeninShow Entry
Liquiritin PHUB000385418.126382288C21H22O9PolyphenolsFlavonoidsFlavanonesLiquiritigenin 4'-O-glucosideDEMKZLAVQYISIA-UZQFATADSA-Nliquiritin418.3989.79e-01 g/l0.430.0Show Entry
Liquiritigenin PHUB000386256.073558866C15H12O4PolyphenolsFlavonoidsFlavanones7,4'-DihydroxyflavanoneFURUXTVZLHCCNA-UHFFFAOYSA-N5-deoxyflavanone256.2571.33e-01 g/l2.790.0Show Entry
Naringenin PHUB000387272.068473486C15H12O5PolyphenolsFlavonoidsFlavanones5,7,4'-TrihydroxyflavanoneFTVWIRXFELQLPI-UHFFFAOYSA-Nasahina272.2562.14e-01 g/l2.470.0Coumaric 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 / PhloroglucinolShow Entry
Prunin PHUB000388434.121296908C21H22O10PolyphenolsFlavonoidsFlavanonesNaringenin 7-O-glucosideDLIKSSGEMUFQOK-RGHIGTIISA-N5-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-one434.3971.53e+00 g/l0.170.0Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronideShow Entry
Naringin PHUB000389580.17920571C27H32O14PolyphenolsFlavonoidsFlavanonesNaringenin 7-O-neohesperidosideDFPMSGMNTNDNHN-JJLSSNRUSA-N7-{[(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-one580.5394.06e+00 g/l-0.240.03-(4'-Hydroxyphenyl)propionic acid / 3-Phenylpropionic acid / Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronideShow Entry
Naringenin 4'-O-glucoside PHUB000390434.121296908C21H22O10PolyphenolsFlavonoidsFlavanonesKSDSYIXRWHRPMN-UHFFFAOYSA-N5,7-dihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one434.3971.30e+00 g/l0.210.0Show Entry
Naringin 6'-malonate PHUB000391666.179599635C30H34O17PolyphenolsFlavonoidsFlavanonesNaringenin 7-O-(6""-malonate-neohesperidoside)YCOQCRMFNLZUCL-UHFFFAOYSA-N3-[(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 acid666.5851.93e+00 g/l0.390.0Show Entry
Narirutin PHUB000392580.17920571C27H32O14PolyphenolsFlavonoidsFlavanonesNaringenin 7-O-rutinosideHXTFHSYLYXVTHC-TUURGLJWSA-N5-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-one580.5393.08e+00 g/l-0.350.0Naringenin 4'-O-glucuronide / Naringenin 7-O-glucuronide / Naringenin O-diglucuronideShow Entry
Narirutin 4'-O-glucoside PHUB000393742.232029132C33H42O19PolyphenolsFlavonoidsFlavanonesKQUWJUNIYQVHCG-UHFFFAOYSA-N5-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-one742.685.04e+00 g/l-0.920.0Show Entry
Neoeriocitrin PHUB000394596.17412033C27H32O15PolyphenolsFlavonoidsFlavanonesEriodictyol 7-O-neohesperidosideOBKKEZLIABHSGY-BEDUMGIKSA-N7-{[(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-one596.5384.42e+00 g/l-0.360.0Show Entry
Neohesperidin PHUB000395610.189770395C28H34O15PolyphenolsFlavonoidsFlavanonesHesperetin 7-O-neohesperidosideARGKVCXINMKCAZ-NXNSLOOGSA-N7-{[(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-one610.5653.37e+00 g/l-0.270.0Show Entry
Pinocembrin PHUB000396256.073558866C15H12O4PolyphenolsFlavonoidsFlavanones5,7-Dihydroxyflavanone; DihydrochrysinURFCJEUYXNAHFI-UHFFFAOYSA-Npinocembrin256.2571.88e-01 g/l2.850.0Show Entry
Poncirin PHUB000397594.194855775C28H34O14PolyphenolsFlavonoidsFlavanonesCitrifolioside; Isosakuranetin 7-O-neohesperidosideNLAWPKPYBMEWIR-YZOWQMJMSA-N7-{[(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-one594.5662.32e+00 g/l-0.130.0Show Entry
Sakuranetin PHUB000398286.084123551C16H14O5PolyphenolsFlavonoidsFlavanones5,4'-Dihydroxy-7-methoxyflavanone; 7-MethylnaringeninDJOJDHGQRNZXQQ-UHFFFAOYSA-Nsakuranetin286.2838.83e-02 g/l2.860.0Show Entry
Butin PHUB000399272.068473486C15H12O5PolyphenolsFlavonoidsFlavanones7,3',4'-TrihydroxyflavanoneMJBPUQUGJNAPAZ-UHFFFAOYSA-N7,3',4'-trihydroxyflavanone272.2561.88e-01 g/l2.550.0Show Entry
Garbanzol PHUB000400272.068473486C15H12O5PolyphenolsFlavonoidsFlavanones3,7,4'-TrihydroxyflavanoneVRTGGIJPIYOHGT-MLCCFXAWSA-N(3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one272.2566.99e-01 g/l1.400.0Show Entry
Glabranin PHUB000401324.136159124C20H20O4PolyphenolsFlavonoidsFlavanonesDAWSYIQAGQMLFS-UHFFFAOYSA-N5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one324.3761.69e-02 g/l3.590.0Show Entry
Eriodictyol-6-C-glucoside PHUB000402450.116211528C21H22O11PolyphenolsFlavonoidsFlavanonesFNJRUYGFVNGXTL-UHFFFAOYSA-N2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzopyran-4-one450.3963.18e+00 g/l-0.100.0Rooibos teaEriodictyol O-glucuronide / Eriodictyol O-sulfateShow Entry
Eriodictyol-8-C-glucoside PHUB000403450.116211528C21H22O11PolyphenolsFlavonoidsFlavanonesCMVYWFJFAHQVQP-GJNDOSSTSA-N8-C-glucopyranosyleriodictylol450.3963.25e+00 g/l-0.170.0Rooibos teaEriodictyol O-glucuronide / Eriodictyol O-sulfateShow Entry
Betalamic acid PHUB000404211.048072394C9H9NO5N-containing compoundsAlkaloidsBetalains4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acidYQDKULBMDMPFLH-FSRBREEPSA-Nbetalamic acid211.1734.72e+00 g/l0.530.0Show Entry
Betanin PHUB000405550.143488905C24H26N2O13N-containing compoundsAlkaloidsBetalainsbetanidin 5-O-beta-glucosideDHHFDKNIEVKVKS-FMOSSLLZSA-N7659-95-2550.4735.00e-01 g/l0.210.0Prickly pear / Swiss chardShow Entry
Isobetanin PHUB000406550.143488928C24H26N2O13N-containing compoundsAlkaloidsBetalainsisobetanidin 5-O-beta-glucosideDHHFDKNIEVKVKS-RYGANQNKSA-N15121-53-6(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-carboxylate550.46885.00e-01 g/l0.210.0Prickly pear / Swiss chardShow Entry
Betanidin PHUB000407388.090665483C18H16N2O8N-containing compoundsAlkaloidsBetalainsXHJKHSXHWJCBLX-DGCLKSJQSA-N2181-76-2388.3320.0Swiss chardShow Entry
Isobetanidin PHUB000408389.097941936C18H17N2O8N-containing compoundsAlkaloidsBetalainsXHJKHSXHWJCBLX-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-ylium389.3394.73e-02 g/l0.860.0Swiss chardShow Entry
Neobetanin PHUB000409548.127838841C24H24N2O13N-containing compoundsAlkaloidsBetalainsneobetanidin 5-O-beta-glucosideJGRJFJIJVQCUMW-KPIVEDDKSA-N71199-29-64-[(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 acid548.4571.14e+00 g/l-0.150.0Show Entry
2-decarboxy-betanin PHUB000410507.160936118C23H27N2O11N-containing compoundsAlkaloidsBetalainsLHFIVCHVGBRMCE-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-ylium507.4714.91e-01 g/l-0.890.0Show Entry
2-decarboxy-isobetanin PHUB000411507.160936118C23H27N2O11N-containing compoundsAlkaloidsBetalainsLHFIVCHVGBRMCE-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-ylium507.4714.91e-01 g/l-0.890.0Show Entry
2-decarboxy-neobetanin PHUB000412506.153659665C23H26N2O11N-containing compoundsAlkaloidsBetalainsQEEUPPGOYYSBBM-BESWIXOSSA-N852290-56-3506.4641.85e+00 g/l-1.320.0Show Entry
17-decarboxy-betanin PHUB000413507.160936118C23H27N2O11N-containing compoundsAlkaloidsBetalainsODZSVTKJEOTEJA-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-ylium507.4717.87e-01 g/l-0.090.0Show Entry
17-decarboxy-isobetanin PHUB000414507.160936118C23H27N2O11N-containing compoundsAlkaloidsBetalainsODZSVTKJEOTEJA-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-ylium507.4717.87e-01 g/l-0.090.0Show Entry
17-decarboxy-neobetanin PHUB000415504.138009601C23H24N2O11N-containing compoundsAlkaloidsBetalainsWJEMSCKDKUZHHE-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 acid504.4481.43e+00 g/l-0.220.0Show Entry
15-decarboxy-betanin PHUB000416507.160936118C23H27N2O11N-containing compoundsAlkaloidsBetalainsTUFCRSJUUGMVTK-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-ylium507.4717.73e-01 g/l0.180.0Show Entry
2,17-didecarboxy-betanin PHUB000417463.171106878C22H27N2O9N-containing compoundsAlkaloidsBetalainsXEDJMNDIFSUTPP-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-ylium463.4624.83e-01 g/l-1.660.0Show Entry
2,17-didecarboxy-isobetanin PHUB000418463.171106878C22H27N2O9N-containing compoundsAlkaloidsBetalainsXEDJMNDIFSUTPP-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-ylium463.4624.83e-01 g/l-1.660.0Show Entry
2,17-didecarboxy-neobetanin PHUB000419462.163830425C22H26N2O9N-containing compoundsAlkaloidsBetalainsOUFNNXJRFIGQFM-RXHCNIIASA-N852290-55-2462.4552.26e+00 g/l-0.810.0Show Entry
2,15,17-tridecarboxy-betanin PHUB000420419.181277638C21H27N2O7N-containing compoundsAlkaloidsBetalainsRFMZQOJPTYAVAR-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-ylium419.4535.45e-01 g/l-1.570.0Show Entry
2,15,17-tridecarboxy-neobetanin PHUB000421416.158351121C21H24N2O7N-containing compoundsAlkaloidsBetalainsBMUOFBGZOHQQKC-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-triol416.433.32e+00 g/l0.160.0Show Entry
Prebetanin PHUB000422630.100303939C24H26N2O16SN-containing compoundsAlkaloidsBetalainsbetanidin 5-O-(6'-sulfate)-beta-glucosideOZXPZOHWSFDUDY-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-ylium630.537.97e-01 g/l0.070.0Red beetrootShow Entry
Hylocerenin PHUB000423694.185747643C30H34N2O17N-containing compoundsAlkaloidsBetalainsbetanidin 5-O-(6'-O-3''-hydroxy-3''-methyl-glutaryl)-beta-glucosideQKXXHWFHBPIWQB-WXZMGVIUSA-N403517-96-4694.5992.03e-01 g/l-0.340.0Show Entry
Isohylocerenin PHUB000424694.185747643C30H34N2O17N-containing compoundsAlkaloidsBetalainsisobetanidin 5-O-(6'-O-3''-hydroxy-3''-methyl-glutaryl)-beta-glucosideQKXXHWFHBPIWQB-KVYXXMNBSA-N403517-97-5694.5992.03e-01 g/l-0.340.0Show Entry
Phyllocactin PHUB000425650.159532894C28H30N2O16N-containing compoundsAlkaloidsBetalainsbetanidin 5-O-(6'-O-malonyl)-beta-glucosideDCGMVLYJFORYIG-VJCXAXFISA-N15167-85-8650.5461.97e-01 g/l0.160.0Swiss chardShow Entry
Isophyllocactin PHUB000426650.159532894C28H30N2O16N-containing compoundsAlkaloidsBetalainsisobetanidin 5-O-(6'-O-malonyl)-beta-glucosideDCGMVLYJFORYIG-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-carboxylate650.5461.97e-01 g/l0.160.0Show Entry
Lampranthin II PHUB000427726.190833023C34H34N2O16N-containing compoundsAlkaloidsBetalainsbetanidin 5-O-(6'-O-feruloyl)-beta-glucosideBRMDRKOAVZEJCS-WPUGSIMNSA-N32074-65-0(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-carboxylate726.6445.13e-02 g/l1.460.0Swiss chardShow Entry
Isolampranthin II PHUB000428726.190833023C34H34N2O16N-containing compoundsAlkaloidsBetalainsisobetanidin 5-O-(6'-O-feruloyl)-beta-glucosideBRMDRKOAVZEJCS-YCVPHGRYSA-N33594-55-7726.6445.13e-02 g/l1.460.0Swiss chardShow Entry
Gomphrenin I PHUB000429550.143488905C24H26N2O13N-containing compoundsAlkaloidsBetalainsbetanidin 6-O-beta-glucosideYUDKHXMQDKVDGU-FMOSSLLZSA-N17008-59-2550.4730.0Prickly pearShow Entry
Isogomphrenin I PHUB000430550.143488905C24H26N2O13N-containing compoundsAlkaloidsBetalainsisobetanidin 6-O-beta-glucosideYUDKHXMQDKVDGU-RYGANQNKSA-N550.4734.78e-01 g/l0.260.0Show Entry
3-Methoxy-tyramine-betaxanthin PHUB000431360.132136372C18H20N2O6N-containing compoundsAlkaloidsBetalainsSBHOSQZNRDXQAX-WSESCXGKSA-N(2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid360.3668.05e-02 g/l2.190.0Swiss chardShow Entry
glutamine-betaxanthin PHUB000432339.106649899C14H17N3O7N-containing compoundsAlkaloidsBetalainsVulgaxanthin IPDBJJFJKNSKTSW-IRFVBRLPSA-N904-62-1(2S,4E)-4-[(2Z)-2-{[(1S)-3-carbamoyl-1-carboxypropyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid339.3042.58e-01 g/l-0.320.0Prickly pear / Swiss chardShow Entry
Glutamic acid-betaxanthin PHUB000433340.090665483C14H16N2O8N-containing compoundsAlkaloidsBetalainsVulgaxanthin IIHWOAHVAPMFFSAN-PVXSWLFQSA-N1047-87-6(2S)-4-[(E)-2-{[(1S)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid340.2882.18e-01 g/l0.070.0Swiss chardShow Entry
Asparagine-betaxanthin PHUB000434325.090999835C13H15N3O7N-containing compoundsAlkaloidsBetalainsVulgaxanthin IIIZVEXYBAPQJFYFJ-PXDRJJNMSA-N(2S,4E)-4-(2-{[(1S)-2-carbamoyl-1-carboxyethyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid325.2773.54e-01 g/l-0.410.0Swiss chardShow Entry
Leucine-betaxanthin PHUB000435324.132136372C15H20N2O6N-containing compoundsAlkaloidsBetalainsVulgaxanthin IVROSMOQADGQSNPU-FJDWGVDESA-N(2S,4E)-4-[(2E)-2-[(1-carboxy-3-methylbutyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid324.3331.60e-01 g/l1.440.0Prickly pear / Swiss chardShow Entry
Isoleucine-betaxanthin PHUB000436324.132136372C15H20N2O6N-containing compoundsAlkaloidsBetalainsCPTLBLHJPWEWRB-JQJUSHLPSA-N(2S,4E)-4-{2-[(1-carboxy-2-methylbutyl)imino]ethylidene}-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid324.3331.69e-01 g/l1.430.0Prickly pear / Swiss chardShow Entry
Methionine sulfoxide-betaxanthin PHUB000437358.083472102C14H18N2O7SN-containing compoundsAlkaloidsBetalainsMiraxanthin IKRWNKOCPQBHMPM-PVDTWJDUSA-N5296-79-7(2S,4E)-4-(2-{[(1S)-1-carboxy-3-methanesulfinylpropyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid358.378.37e-01 g/l0.160.0Show Entry
Methionine-betaxanthin PHUB000438342.088557482C14H18N2O6SN-containing compoundsAlkaloidsBetalainsOOEBWEUZBRBRQY-AIJRUOFWSA-N(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid342.371.41e-01 g/l0.740.0Show Entry
Aspartic acid-betaxanthin PHUB000439326.075015419C13H14N2O8N-containing compoundsAlkaloidsBetalainsMiraxanthin IIYHGOPYILBIAFGW-UIBMYNJFSA-N5375-63-3(2S,4E)-4-(2-{[(1S)-1,2-dicarboxyethyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid326.2612.56e-01 g/l0.380.0Show Entry
Tyramine-betaxanthin PHUB000440330.121571688C17H18N2O5N-containing compoundsAlkaloidsBetalainsMiraxanthin IIILWXJBFFPVPUUSL-JEUDWDASSA-N5589-85-5Miraxanthin-III330.349.78e-02 g/l2.170.0Swiss chardShow Entry
Dopamine-betaxanthin PHUB000441346.116486308C17H18N2O6N-containing compoundsAlkaloidsBetalainsMiraxanthin V; miraxanthin-VPDKFHZWVCCZUIF-YJHWCPSBSA-N5375-64-4miraxanthin-V346.3397.64e-02 g/l2.220.0Swiss chardShow Entry
Histidine-betaxanthin PHUB000442348.106984251C15H16N4O6N-containing compoundsAlkaloidsBetalainsMuscaaurin VIIBSRYRWSRAZYVFS-MISNAGCKSA-N81943-08-0348.3150.0Prickly pear / Swiss chardShow Entry
tyrosine-betaxanthin PHUB000443374.111400928C18H18N2O7N-containing compoundsAlkaloidsBetalainsPortulacaxanthin IIXZCZKQZHJKYDQW-RFMXEPQUSA-N374.3497.83e-02 g/l1.550.0Swiss chardShow Entry
Glycine-betaxanthin PHUB000444268.069536114C11H12N2O6N-containing compoundsAlkaloidsBetalainsPortulacaxanthin IIIZZZQMKRQWYRKFG-HVXFQPPXSA-N135545-99-2portulacaxanthin III268.2254.01e-01 g/l0.440.0Swiss chardShow Entry
γ-Aminobutyric acid-betaxanthin PHUB000445296.100836243C13H16N2O6N-containing compoundsAlkaloidsBetalainsICGRVJRPJJYWPZ-FDLAANOMSA-N(2S,4E)-4-[(2Z)-2-[(3-carboxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid296.2792.60e-01 g/l0.780.0Prickly pear / Swiss chardShow Entry
Histamine-betaxanthin PHUB000446304.117155011C14H16N4O4N-containing compoundsAlkaloidsBetalainsNKVDSHYVFXEPFV-MSLONMJQSA-N(2S,4E)-4-[(2Z)-2-{[2-(3H-imidazol-4-yl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid304.3062.00e-01 g/l0.740.0Swiss chardShow Entry
Proline-betaxanthin PHUB000447308.100836243C14H16N2O6N-containing compoundsAlkaloidsBetalainsIndicaxanthinRJIIQBYZGJSODH-QWRGUYRKSA-N2181-75-1indicaxanthin308.292.06e-01 g/l-1.020.0Prickly pear / Swiss chardShow Entry
Phenylalanine-betaxanthin PHUB000448358.116486308C18H18N2O6N-containing compoundsAlkaloidsBetalainsHAMXRPQAHZQQOG-KBBYHXIASA-N(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-phenylethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid358.354.39e-02 g/l1.820.0Prickly pear / Swiss chardShow Entry
Serine-betaxantin PHUB000449298.080100799C12H14N2O7N-containing compoundsAlkaloidsBetalainsFPSPMXPRFYBHKR-UQXOTDKOSA-N(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-hydroxyethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid298.2515.71e-01 g/l-0.200.0Swiss chardShow Entry
Valine-betaxanthin PHUB000450310.116486308C14H18N2O6N-containing compoundsAlkaloidsBetalainsOFCWWHRZBKKYLH-NUYXRTHPSA-N(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-methylpropyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid310.3062.04e-01 g/l1.200.0Prickly pear / Swiss chardShow Entry
Arginine-betaxanthin PHUB000451367.149183416C15H21N5O6N-containing compoundsAlkaloidsBetalainsYAQNIUGMDIKWBA-GOEHPVLMSA-N367.3620.0UllucoShow Entry
Lysine-betaxanthin PHUB000452339.143035408C15H21N3O6N-containing compoundsAlkaloidsBetalainsPXXNEQRBAYASTO-GTFOEFGDSA-N(2S,4E)-4-[(2Z)-2-[(5-amino-1-carboxypentyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid339.3481.56e-01 g/l-2.080.0Show Entry
Threonine-betaxanthin PHUB000453312.095750863C13H16N2O7N-containing compoundsAlkaloidsBetalainsQRPJLYZEYIAPNC-OUMWIEETSA-N(2S,4E)-4-[(2Z)-2-[(1-carboxy-2-hydroxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid312.2784.44e-01 g/l0.300.0Show Entry
Tryptophan-betaxanthin PHUB000454397.127385344C20H19N3O6N-containing compoundsAlkaloidsBetalainsARKIQAJOXYYWTM-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 acid397.3872.16e-02 g/l2.250.0Swiss chardShow Entry
Ethanolamine-betaxanthin PHUB000455254.090271559C11H14N2O5N-containing compoundsAlkaloidsBetalainsNNZFPQMVIVEAPP-TUKBYBJDSA-N(2S,4E)-4-[(2E)-2-[(2-hydroxyethyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid254.2425.86e-01 g/l0.090.0Show Entry
5-Hydroxynorvaline-betaxanthin PHUB000456326.111400928C14H18N2O7N-containing compoundsAlkaloidsBetalainsHumilixanthinRVPIQBBRHBAQKG-CFJJVPNFSA-Nhumilixanthin326.3052.85e-01 g/l0.340.0Common beetrootShow Entry
Phytoene (15-Z-) PHUB000457544.500802061C40H64TerpenoidsCarotenoidsNot AvailableYVLPJIGOMTXXLP-BHLJUDRVSA-Ncis-phytoene544.9523.17e-04 g/l9.600.0ApricotShow Entry
Phytofluene PHUB000458542.485151984C40H62TerpenoidsCarotenoidsNot AvailableOVSVTCFNLSGAMM-DGFSHVNOSA-Nphytofluene542.92033.55e-04 g/l9.560.0ApricotShow Entry
Neurosporene PHUB000459538.453851856C40H58TerpenoidsCarotenoidsNot AvailableATCICVFRSJQYDV-XILUKMICSA-Nneurosporene538.88853.66e-04 g/l9.280.0Show Entry
Lycopene (tetra-cis) PHUB000460536.438201792C40H56TerpenoidsCarotenoidsNot AvailableProlycopeneOAIJSZIZWZSQBC-BYUNHUQQSA-Nprolycopene536.87263.97e-04 g/l9.160.0Show Entry
Anhydrolutein I PHUB000461550.417466359C40H54OTerpenoidsCarotenoidsNot AvailableUIUSQYGQZRBKCC-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-ol550.8715.77e-04 g/l8.960.0Show Entry
Zeaxanthin (meso) PHUB000462568.428031043C40H56O2TerpenoidsCarotenoidsNot AvailableJKQXZKUSFCKOGQ-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-ol568.8866.49e-04 g/l8.300.0Show Entry
Zeinoxanthin PHUB000463552.433116423C40H56OTerpenoidsCarotenoidsNot AvailableNBZANZVJRKXVBH-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-ol552.8875.35e-04 g/l9.190.0Show Entry
carotenal (beta-apo-8') PHUB000464416.307915908C30H40OTerpenoidsCarotenoidsNot AvailableDFMMVLFMMAQXHZ-DOKBYWHISA-Napocarotenal416.6498.33e-04 g/l7.970.0Show Entry
Bixin PHUB000465394.214409448C25H30O4TerpenoidsCarotenoidsNot AvailableRAFGELQLHMBRHD-SLEZCNMESA-Nbixin394.50331.44e-03 g/l6.000.0Show Entry
Norbixin PHUB000466380.198759382C24H28O4TerpenoidsCarotenoidsNot AvailableZVKOASAVGLETCT-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 acid380.4842.09e-03 g/l5.520.0Show Entry
Carotene-delta PHUB000467536.438201803C40H56TerpenoidsCarotenoidsNot AvailableWGIYGODPCLMGQH-GOXCNPTKSA-Ndelta-carotene536.8883.39e-04 g/l9.500.0Show Entry
Avenasterol (delta5-) PHUB000468412.370516158C29H48OTerpenoidsPhytosterolsNot Available29-Isofucosterol; IsofucosterolOSELKOCHBMDKEJ-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-ol412.69087.48e-05 g/l7.600.0Almond / Apricot / Brazil nut / Cashew nut / Chocolate / Common hazelnut / Common walnut / Common wheat / Flaxseed / Macadamia nut / Oat / Peanut / Pecan nut / Pine nut / Pistachio / Poppy / Sesame / SunflowerShow Entry
Avenasterol (delta7-) PHUB000469412.370516158C29H48OTerpenoidsPhytosterolsNot AvailableMCWVPSBQQXUCTB-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-ol412.69089.25e-05 g/l7.620.0Peanut butterShow Entry
Brassicasterol PHUB000470398.354866101C28H46OTerpenoidsPhytosterolsNot AvailableOILXMJHPFNGGTO-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-ol398.6753.47e-05 g/l6.480.0Alfalfa / Apple / Broccoli / Brussel sprouts / Cauliflower / Common beetroot / Dill / European plum / Parsley / Pepper / Rapeseed / Spinach / Vaccinium (Blueberry, Cranberry, Huckleberry)Show Entry
Campestanol PHUB000471402.38616623C28H50OTerpenoidsPhytosterolsNot AvailableARYTXMNEANMLMU-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-ol402.7071.31e-05 g/l6.860.0Almond / 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 / SunflowerShow Entry
Campesterol PHUB000472400.370516158C28H48OTerpenoidsPhytosterolsNot AvailableCampesterinSGNBVLSWZMBQTH-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-ol400.68012.19e-05 g/l6.810.0Alfalfa / 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 PHUB000473412.370516166C29H48OTerpenoidsPhytosterolsNot AvailableStigmastadienolGHGKPLPBPGYSOO-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-ol412.7021.35e-04 g/l7.560.0Olive oil / PeanutShow Entry
Cycloartenol PHUB000474426.38616623C30H50OTerpenoidsPhytosterolsNot AvailableONQRKEUAIJMULO-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-ol426.7293.56e-05 g/l6.660.0Peanut / RiceShow Entry
Dihydrobrassicasterol PHUB000475400.370516166C28H48OTerpenoidsPhytosterolsNot AvailableEpicampesterolSGNBVLSWZMBQTH-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-ol400.6912.19e-05 g/l6.810.0Soy beanShow Entry
Ergosterol PHUB000476396.33921603C28H44OTerpenoidsPhytosterolsNot AvailableErgosterin; Provitamin D2DNVPQKQSNYMLRS-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-ol396.64841.56e-04 g/l7.390.0Common mushroomShow Entry
Fucosterol PHUB000477412.370516158C29H48OTerpenoidsPhytosterolsNot AvailableFucosterinOSELKOCHBMDKEJ-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-ol412.69087.48e-05 g/l7.600.0CoconutShow Entry
Sitostanol-beta PHUB000478416.401816294C29H52OTerpenoidsPhytosterolsNot AvailableDihydrositosterol; Fucostanol; StigmastanolLGJMUZUPVCAVPU-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-ol416.7341.14e-05 g/l7.230.0Almond / 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 / SunflowerShow Entry
Sitosterol-beta PHUB000479414.38616623C29H50OTerpenoidsPhytosterolsNot AvailableCinchol; Cupreol; Quebrachol; SitosterinKZJWDPNRJALLNS-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-ol414.7181.84e-05 g/l7.270.0Alfalfa / 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 PHUB000480412.370516166C29H48OTerpenoidsPhytosterolsNot AvailableBessisterol; Chondrillasterol; Spinasterin-alphaJZVFJDZBLUFKCA-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-ol412.7023.40e-05 g/l7.460.0Alfalfa / Peanut butter / SpinachShow Entry
Stigmasterol PHUB000481412.370516166C29H48OTerpenoidsPhytosterolsNot AvailableStigmasterinHCXVJBMSMIARIN-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-ol412.7022.73e-05 g/l6.950.0Alfalfa / 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 orangeShow Entry
Citrostadienol PHUB000482426.38616623C30H50OTerpenoidsPhytosterolsNot AvailableLPZCCMIISIBREI-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-ol426.7297.56e-05 g/l7.850.0Show Entry
Cyanidin PHUB000483287.055563084C15H11O6PolyphenolsFlavonoidsAnthocyaninsVEVZSMAEJFVWIL-UHFFFAOYSA-Ocyanidin287.24424.89e-02 g/l2.410.0Apple3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxyphenyl)beta-D-glucuronic acidShow Entry
Cyanidin 3-(caffeoyl)(p-coumaroyl)-diglucoside-5-glucoside PHUB0004841081.281958247C51H53O26PolyphenolsFlavonoidsAnthocyaninsZDPHYVRDGAQMTN-HZXYIBKOSA-O2-(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-ylium1081.9581.96e-01 g/l2.390.0Show Entry
Cyanidin 3-(caffeoyl)-diglucoside-5-glucoside PHUB000485935.245178814C42H47O24PolyphenolsFlavonoidsAnthocyaninsYZJPIJNLTTVHHD-QNUABCLLSA-O2-(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-ylium935.8138.59e-01 g/l1.210.0Show Entry
Cyanidin 3-(feruloyl)(feruloyl)-diglucoside-5-glucoside PHUB0004861125.308172996C53H57O27PolyphenolsFlavonoidsAnthocyaninsANGPHKURTIFMSX-PEYLKAOJSA-O3-{[(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-ylium1126.0111.41e-01 g/l2.590.0Show Entry
Cyanidin 3-(feruloyl)(feruloyl)-triglucoside-5-glucoside PHUB0004871287.360996418C59H67O32PolyphenolsFlavonoidsAnthocyaninsGNRDYGNUXHHTTK-UROUXMLXSA-O3-{[(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-ylium1288.1524.02e-01 g/l1.990.0Show Entry
Cyanidin 3-(feruloyl)(sinapoyl)-diglucoside-5-glucoside PHUB0004881155.31873768C54H59O28PolyphenolsFlavonoidsAnthocyaninsRBKRYOSBBLRFTC-JEPTWNFHSA-O3-{[(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-ylium1156.0371.36e-01 g/l2.650.0Show Entry
Cyanidin 3-(feruloyl)(sinapoyl)-triglucoside-5-glucoside PHUB0004891317.371561102C60H69O33PolyphenolsFlavonoidsAnthocyaninsXBPKDPGOFOEHAI-KJEJWVHFSA-O3-{[(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-ylium1318.1783.99e-01 g/l2.020.0Show Entry
Cyanidin 3-(feruloyl)-diglucoside-5-glucoside PHUB000490949.260828878C43H49O24PolyphenolsFlavonoidsAnthocyaninsMXQBPHHMPLYOQG-YLILQDGXSA-O3-{[(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-ylium949.847.16e-01 g/l1.290.0Show Entry
Cyanidin 3-(feruloyl)-glucoside-5-glucoside PHUB000491787.208005456C37H39O19PolyphenolsFlavonoidsAnthocyaninsNDRLBVWGLKJENX-HCGPPBGESA-O2-(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-ylium787.6992.35e-01 g/l2.030.0Show Entry
Cyanidin 3-(feruloyl)-triglucosides-5-glucoside PHUB0004921111.3136523C49H59O29PolyphenolsFlavonoidsAnthocyaninsJWFUYHYTGJFUCW-PHGZVPTQSA-O3-{[(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-ylium1111.9812.61e+00 g/l0.640.0Show Entry
Cyanidin 3-(p-coumaroyl)-diglucoside-5-glucoside PHUB000493919.250264194C42H47O23PolyphenolsFlavonoidsAnthocyaninsYIQGOIVRQGYHKC-QNUABCLLSA-O3-{[(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-ylium919.8147.80e-01 g/l1.190.0Show Entry
Cyanidin 3-(sinapoyl)(sinapoyl)-diglucoside-5-glucoside PHUB0004941185.329302364C55H61O29PolyphenolsFlavonoidsAnthocyaninsLQGKYRAQWXZSQJ-VCMFALRXSA-O3-{[(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-ylium1186.0631.36e-01 g/l2.750.0Show Entry
Cyanidin 3-(sinapoyl)-diglucoside-5-glucoside PHUB000495979.271393562C44H51O25PolyphenolsFlavonoidsAnthocyaninsKHCIHWRSUJQREL-HMBDQTPVSA-O3-{[(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-ylium979.8666.64e-01 g/l1.290.0Show Entry
Cyanidin 3-(sinapoyl)-glucoside-5-glucoside PHUB000496817.21857014C38H41O20PolyphenolsFlavonoidsAnthocyaninsOIMSOHQKVWQFBN-CQGDMFOASA-O2-(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-ylium817.7252.26e-01 g/l2.010.0Show Entry
Cyanidin 3-(sinapoyl)-triglucoside-5-glucoside PHUB0004971141.324216984C50H61O30PolyphenolsFlavonoidsAnthocyaninsPSXOXXIHLFWCTA-MIAYFPRTSA-O3-{[(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-ylium1142.0072.46e+00 g/l0.740.0Show Entry
Cyanidin 3,5-O-diglucoside PHUB000498611.160661338C27H31O16PolyphenolsFlavonoidsAnthocyaninsCyanidin 3-O-glucoside-5-O-glucosideRDFLLVCQYHQOBU-PKICTZKZSA-O2-(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-ylium611.5281.34e+00 g/l-0.180.0Peonidin 3-glucosideShow Entry
Cyanidin 3-O-arabinoside PHUB000499419.097273232C20H19O10PolyphenolsFlavonoidsAnthocyaninsKUCVMQMKRICXJC-FEUVXWNVSA-O2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium419.3614.56e-01 g/l1.370.0Show Entry
Cyanidin 3-O-diglucoside PHUB000500611.160661338C27H31O16PolyphenolsFlavonoidsAnthocyaninsSXYMMDGPXYVCER-YWXHFWPTSA-O3-{[(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-ylium611.5281.91e+00 g/l0.090.0Show Entry
Cyanidin 3-O-diglucoside-5-O-glucoside PHUB000501773.21348476C33H41O21PolyphenolsFlavonoidsAnthocyaninsLOXRHOFBKUTJEZ-KVGMNMRRSA-O3-{[(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-ylium773.6695.81e+00 g/l-0.630.0Show Entry
Cyanidin 3-O-galactoside PHUB000502449.107837916C21H21O11PolyphenolsFlavonoidsAnthocyaninsRKWHWFONKJEUEF-KKKDIUQISA-O2-(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-ylium449.3876.04e-01 g/l0.980.0AppleShow Entry
Cyanidin 3-O-glucoside PHUB000503449.107837916C21H21O11PolyphenolsFlavonoidsAnthocyaninsRKWHWFONKJEUEF-UNJWAJPSSA-O2-(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-ylium449.3876.04e-01 g/l0.980.03-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-sulfateShow Entry
Cyanidin 3-O-rutinoside PHUB000504595.165746718C27H31O15PolyphenolsFlavonoidsAnthocyaninsUSNPULRDBDVJAO-NNWGXVDZSA-O2-(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-ylium595.5298.95e-01 g/l0.660.0Isopeonidin 3-rutinoside / Peonidin 3-rutinosideShow Entry
Pelargonidin PHUB000505271.060648462C15H11O5PolyphenolsFlavonoidsAnthocyaninsXVFMGWDSJLBXDZ-UHFFFAOYSA-Opelargonidin271.24483.10e-02 g/l2.940.03-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid / 4-(1-Carboxyphenyl)beta-D-glucuronic acidShow Entry
Pelargonidin 3-O-glucoside PHUB000506433.113471892C21H21O10PolyphenolsFlavonoidsAnthocyaninsABVCUBUIXWJYSE-UNJWAJPSSA-O5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium433.38544.61e-01 g/l1.130.03-(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 sulfateShow Entry
1,2,2'-Triferuloylgentiobiose PHUB000507870.258243881C42H46O20PolyphenolsPhenolic acidsHydroxycinnamic acidsKHUQBGCNTVZZRF-ZOWBABNGSA-N6-{[(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-enoate870.814.53e-02 g/l2.760.0Show Entry
1,2,2'-Trisinapoylgentiobiose PHUB000508960.28993797C45H52O23PolyphenolsPhenolic acidsHydroxycinnamic acidsHVHNDGOZMSAQDC-SRDSWEMOSA-N6-{[(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-enoate960.88065.81e-02 g/l2.840.0Show Entry
1,2-Diferuloylgentiobiose PHUB000509694.210899764C32H38O17PolyphenolsPhenolic acidsHydroxycinnamic acidsDTGPXHDRUSYIIK-NXZHAISVSA-N4,5-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-enoate694.6394.19e-01 g/l0.820.0Show Entry
1,2'-Disinapoyl-2-feruloylgentiobiose PHUB000510930.279373284C44H50O22PolyphenolsPhenolic acidsHydroxycinnamic acidsAZUSMVXIHUPOCX-UQYOVKQCSA-N6-{[(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-enoate930.85465.27e-02 g/l2.790.0Show Entry
1,2-Disinapoylgentiobiose PHUB000511754.232029162C34H42O19PolyphenolsPhenolic acidsHydroxycinnamic acidsMBGNTECDWBKCKH-KQQUZDAGSA-N4,5-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-enoate754.68593.36e-01 g/l0.890.0Show Entry
1,3-Dicaffeoylquinic acid PHUB000512516.126776213C25H24O12PolyphenolsPhenolic acidsHydroxycinnamic acidsYDDUMTOHNYZQPO-FCXRPNKRSA-N1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid516.4551.37e-01 g/l2.070.0Show Entry
1,5-Dicaffeoylquinic acid PHUB000513516.126776213C25H24O12PolyphenolsPhenolic acidsHydroxycinnamic acidsYDDUMTOHNYZQPO-AOHQRWFOSA-N(5S)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid516.4551.37e-01 g/l2.070.0Show Entry
1-Caffeoylquinic acid PHUB000514354.095082174C16H18O9PolyphenolsPhenolic acidsHydroxycinnamic acidsPseudochlorogenic acidGWTUHAXUUFROTF-DUXPYHPUSA-N1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylic acid354.30873.38e+00 g/l0.180.0Sweet cherryShow Entry
1-Sinapoyl-2,2'-diferuloylgentiobiose PHUB000515900.268808566C43H48O21PolyphenolsPhenolic acidsHydroxycinnamic acidsJULNRMTUIWVSQY-BHTVJVQFSA-N6-{[(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-enoate900.8364.88e-02 g/l2.810.0Show Entry
1-Sinapoyl-2-feruloylgentiobiose PHUB000516724.221464476C33H40O18PolyphenolsPhenolic acidsHydroxycinnamic acidsQYKVHEQRAXPEEL-XVYDYJIPSA-N4,5-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-enoate724.65993.70e-01 g/l0.880.0Show Entry
2,3-Dihydroxy-1-guaiacylpropanone PHUB000517212.068473494C10H12O5PolyphenolsPhenolic acidsMiscellaneous phenolic acidsUTXNRISXYKZJTH-UHFFFAOYSA-N2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one212.19936.00e+00 g/l0.060.0Show Entry
2,5-di-S-Glutathionyl caftaric acid PHUB000518922.184443816C33H42N6O21S2PolyphenolsPhenolic acidsHydroxycinnamic acidsGZSQKAREDMZRNC-LZCJLJQNSA-N2-{[(2E)-3-[2,5-bis({[2-(4-amino-4-carboxybutanamido)-2-(carboxymethylcarbamoyl)ethyl]sulfanyl})-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-hydroxybutanedioic acid922.8441.65e-01 g/l-2.310.0Show Entry
24-Methylcholestanol ferulate PHUB000519578.433510348C38H58O4PolyphenolsPhenolic acidsHydroxycinnamic acidsNLHPCZDTMWKEFC-GZTJUZNOSA-N14-(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-enoate578.8785.10e-06 g/l7.770.0Show Entry
24-Methylcholesterol ferulate PHUB000520576.417860283C38H56O4PolyphenolsPhenolic acidsHydroxycinnamic acidsSWIWTAJTJOYCTB-GZTJUZNOSA-N14-(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-enoate576.8627.41e-06 g/l7.930.0Show Entry
24-Methylenecholestanol ferulate PHUB000521576.417860283C38H56O4PolyphenolsPhenolic acidsHydroxycinnamic acidsDOIYKIUFHRPGDF-GZTJUZNOSA-N2,15-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-enoate576.8623.19e-05 g/l7.440.0Show Entry
24-Methyllathosterol ferulate PHUB000522576.417860283C38H56O4PolyphenolsPhenolic acidsHydroxycinnamic acidsOZCGBWSNAGOZDD-GZTJUZNOSA-N14-(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-enoate576.8628.40e-06 g/l8.860.0Show Entry
2-Methoxy-5-prop-1-enylphenol PHUB000523164.083729626C10H12O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids2-Methoxy-5-prop-1-enylbenzeneLHJZSWVADJCBNI-ONEGZZNKSA-N2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol164.2041.48e+00 g/l2.790.0Show Entry
2-S-Glutathionyl caftaric acid PHUB000524617.116287899C23H27N3O15SPolyphenolsPhenolic acidsHydroxycinnamic acidsFRUUTAANUZUTPG-QHHAFSJGSA-N2-{[(2E)-3-(2-{[2-(4-amino-4-carboxybutanamido)-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid617.5372.91e-01 g/l-1.130.0Show Entry
3,4-Dicaffeoylquinic acid PHUB000525516.126776213C25H24O12PolyphenolsPhenolic acidsHydroxycinnamic acidsUFCLZKMFXSILNL-FCXRPNKRSA-N3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid516.4551.25e-01 g/l2.050.0Show Entry
3,4-Diferuloylquinic acid PHUB000526544.158076342C27H28O12PolyphenolsPhenolic acidsHydroxycinnamic acidsWCIDSNIXNCYSPH-NXZHAISVSA-N1,3-dihydroxy-4,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid544.5095.63e-02 g/l2.670.0Show Entry
3,4-Dihydroxyphenylacetic acid PHUB000527168.042258744C8H8O4PolyphenolsPhenolic acidsMiscellaneous phenolic acidsDOPAC; Dopacetic acid; Homogentisic acid; Homoprotocatechuic acidCFFZDZCDUFSOFZ-UHFFFAOYSA-N3,4 dihydroxyphenylacetic acid168.14677.23e+00 g/l0.930.0Cyanidin 3-O-glucoside / Ferulic acidShow Entry
3,5-Dicaffeoylquinic acid PHUB000528516.126776213C25H24O12PolyphenolsPhenolic acidsHydroxycinnamic acidsKRZBCHWVBQOTNZ-FCXRPNKRSA-N3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid516.4551.25e-01 g/l2.050.0Show Entry
3,5-Diferuloylquinic acid PHUB000529544.158076342C27H28O12PolyphenolsPhenolic acidsHydroxycinnamic acidsMOMSOBSYYRIFOP-NXZHAISVSA-N1,4-dihydroxy-3,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid544.5095.42e-02 g/l2.650.0Show Entry
3-Caffeoylquinic acid PHUB000530354.095082174C16H18O9PolyphenolsPhenolic acidsHydroxycinnamic acidsNeochlorogenic acidCWVRJTMFETXNAD-DUXPYHPUSA-Nchlorogenic acid354.30873.44e+00 g/l0.170.0Show Entry
3-Feruloylquinic acid PHUB000531368.110732238C17H20O9PolyphenolsPhenolic acidsHydroxycinnamic acidsRAGZUCNPTLULOL-HWKANZROSA-N1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid368.33533.04e+00 g/l0.230.0Show Entry
3-Methoxyacetophenone PHUB000532150.068079564C9H10O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids1-(3-methoxyphenyl)-ethanone; 3-AcetylanisoleBAYUSCHCCGXLAY-UHFFFAOYSA-NM-methoxyacetophenone150.17451.05e+00 g/l1.770.0Show Entry
3-Methylcatechol PHUB000533124.0524295C7H8O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids3-Methyl-1,2-benzenediol; 3-Methyl-1,2-dihydroxybenzene; 3-Methylpyrocatechin; 3-Methylpyrocatechol; DihydroxytoluenePGSWEKYNAOWQDF-UHFFFAOYSA-N3-methylcatechol124.13723.67e+01 g/l1.030.0Show Entry
3-p-Coumaroylquinic acid PHUB000534338.10016754C16H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsBMRSEYFENKXDIS-ZZXKWVIFSA-N1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid338.3123.92e+00 g/l0.130.0AppleShow Entry
3-Sinapoylquinic acid PHUB000535398.121296908C18H22O10PolyphenolsPhenolic acidsHydroxycinnamic acidsDTJWTKVKHOJHJK-ONEGZZNKSA-N1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid398.3641.50e+00 g/l0.290.0Show Entry
4,5-Dicaffeoylquinic acid PHUB000536516.126776213C25H24O12PolyphenolsPhenolic acidsHydroxycinnamic acidsUFCLZKMFXSILNL-FCXRPNKRSA-N3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid516.4551.25e-01 g/l2.050.0Show Entry
4-Caffeoylquinic acid PHUB000537354.095082174C16H18O9PolyphenolsPhenolic acidsHydroxycinnamic acidsCryptochlorogenic acidGYFFKZTYYAFCTR-BKRVHWFXSA-N(3R,5S)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid354.30873.12e+00 g/l0.170.0AppleShow Entry
4-Ethylcatechol PHUB000538138.068079564C8H10O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Ethyl-1,2-benzenediol; 4-Ethyl-1,2-dihydroxybenzene; 4-Ethylpyrocatechin; 4-EthylpyrocatecholHFLGBNBLMBSXEM-UHFFFAOYSA-N4-ethylbenzene-1,2-diol138.16381.15e+01 g/l1.740.0CoffeeShow Entry
4-Ethylguaiacol PHUB000539152.083729628C9H12O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsCHWNEIVBYREQRF-UHFFFAOYSA-N4-ethylguaiacol152.19042.41e+00 g/l2.360.0Show Entry
4-Ethylphenol PHUB000540122.073164942C8H10OPolyphenolsPhenolic acidsMiscellaneous phenolic acidsHXDOZKJGKXYMEW-UHFFFAOYSA-Nethylphenol122.16446.15e+00 g/l2.540.0QuercetinShow Entry
4-Feruloylquinic acid PHUB000541368.110732224C17H20O9PolyphenolsPhenolic acidsHydroxycinnamic acidsVTMFDSJJVNQXLT-HWKANZROSA-N1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid368.3382.80e+00 g/l0.230.0Show Entry
4-Hydroxybenzaldehyde   PHUB000542122.036779436C7H6O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Formylphenol; p-HydroxybenzaldehydeRGHHSNMVTDWUBI-UHFFFAOYSA-NP-hydroxybenzaldehyde122.12139.51e+00 g/l1.270.0VanillaShow Entry
4-Hydroxyphenylacetic acid PHUB000543152.047344122C8H8O3PolyphenolsPhenolic acidsMiscellaneous phenolic acidsXQXPVVBIMDBYFF-UHFFFAOYSA-N4-hydroxyphenylacetic acid152.14737.12e+00 g/l0.930.0Cyanidin 3-O-glucosideShow Entry
4-Methylcatechol PHUB000544124.0524295C7H8O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Methyl-1,2-benzenediol; 4-Methyl-1,2-dihydroxybenzene; 4-Methylpyrocatechin; 4-Methylpyrocatechol; HomocatecholZBCATMYQYDCTIZ-UHFFFAOYSA-N4-methyl-1,2-benzenediol124.13723.79e+01 g/l1.020.0Show Entry
4-p-Coumaroylquinic acid PHUB000545338.10016754C16H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsXWRHBGVVCOSNKO-ZZXKWVIFSA-N1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid338.3123.54e+00 g/l0.120.0Show Entry
4-Sinapoylquinic acid PHUB000546398.121296908C18H22O10PolyphenolsPhenolic acidsHydroxycinnamic acidsWKRKXTOYTASIOP-NSINOORBSA-N1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid398.3641.49e+00 g/l0.280.0Show Entry
4-Vinylguaiacol PHUB000547150.068079564C9H10O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsYOMSJEATGXXYPX-UHFFFAOYSA-N2-methoxy-4-vinyl-phenol150.17457.42e+00 g/l1.840.0BeerShow Entry
4-Vinylphenol PHUB000548120.057514878C8H8OPolyphenolsPhenolic acidsMiscellaneous phenolic acidsFUGYGGDSWSUORM-UHFFFAOYSA-N4-vinylphenol120.14858.40e+00 g/l2.070.0BeerShow Entry
4-Vinylsyringol PHUB000549242.094294314C15H14O3PolyphenolsPhenolic acidsMiscellaneous phenolic acidsWBBHYMRWGHBXLS-BQYQJAHWSA-N3-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diol242.26995.05e-02 g/l3.160.0Show Entry
5-Feruloylquinic acid PHUB000550368.110732238C17H20O9PolyphenolsPhenolic acidsHydroxycinnamic acidsRAGZUCNPTLULOL-HWKANZROSA-N1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid368.33533.04e+00 g/l0.230.0Show Entry
5-Heneicosenylresorcinol PHUB000551PolyphenolsPhenolic acidsMiscellaneous phenolic acids0.0Show Entry
5-Heneicosylresorcinol PHUB000552404.36543078C27H48O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsBLHLKJLSYHEOGY-UHFFFAOYSA-N5-henicosylbenzene-1,3-diol404.66885.06e-05 g/l9.780.0Show Entry
5-Heptadecenylresorcinol PHUB000553PolyphenolsPhenolic acidsMiscellaneous phenolic acids0.0Show Entry
5-Heptadecylresorcinol PHUB000554348.302830524C23H40O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsBBGNINPPDHJETF-UHFFFAOYSA-N5-heptadecylbenzene-1,3-diol348.56251.77e-04 g/l8.790.0Show Entry
5-Nonadecenylresorcinol PHUB000555PolyphenolsPhenolic acidsMiscellaneous phenolic acids0.0Show Entry
5-Nonadecylresorcinol PHUB000556376.334130652C25H44O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsPUNOCEUUYUXUGR-UHFFFAOYSA-N5-nonadecylbenzene-1,3-diol376.61578.49e-05 g/l9.330.0Show Entry
5-O-Caffeoylshikimic acid PHUB000557336.084517488C16H16O8PolyphenolsPhenolic acidsHydroxycinnamic acidsQMPHZIPNNJOWQI-DUXPYHPUSA-N5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid336.29341.01e+00 g/l1.170.0Show Entry
5-p-Coumaroylquinic acid PHUB000558338.10016754C16H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsBMRSEYFENKXDIS-ZZXKWVIFSA-N1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid338.3123.92e+00 g/l0.130.0Show Entry
5-Pentacosenylresorcinol PHUB000559PolyphenolsPhenolic acidsMiscellaneous phenolic acids0.0Show Entry
5-Pentacosylresorcinol PHUB000560460.428031036C31H56O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsGDJMJAKVVSGNLA-UHFFFAOYSA-N5-pentacosylbenzene-1,3-diol460.77512.46e-05 g/l10.400.0Show Entry
5-Pentadecylresorcinol PHUB000561320.271530396C21H36O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsAdipostatin AKVVSCMOUFCNCGX-UHFFFAOYSA-Ncardol320.50933.83e-04 g/l8.180.0Show Entry
5-Sinapoylquinic acid PHUB000562398.121296908C18H22O10PolyphenolsPhenolic acidsHydroxycinnamic acidsDTJWTKVKHOJHJK-ONEGZZNKSA-N1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid398.3641.50e+00 g/l0.290.0Show Entry
5-Tricosenylresorcinol PHUB000563PolyphenolsPhenolic acidsMiscellaneous phenolic acids0.0Show Entry
5-Tricosylresorcinol PHUB000564432.396730908C29H52O2PolyphenolsPhenolic acidsMiscellaneous phenolic acidsOHTBGMREZYLZQD-UHFFFAOYSA-N5-tricosylbenzene-1,3-diol432.7223.35e-05 g/l10.150.0Show Entry
Acetyl eugenol PHUB000565206.094294314C12H14O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Allyl-2-methoxyphenol acetate; Eugenol acetateSCCDQYPEOIRVGX-UHFFFAOYSA-Neugenyl acetate206.23781.51e-01 g/l3.000.0Show Entry
Anethole PHUB000566148.088815006C10H12OPolyphenolsPhenolic acidsMiscellaneous phenolic acids1-Methoxy-4-prop-1-enylbenzene; 4-Propenylanisole; IsoestragoleRUVINXPYWBROJD-ONEGZZNKSA-Nanethole148.2051.77e-01 g/l3.400.0Show Entry
Anisaldehyde (p-) PHUB000567136.0524295C8H8O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Methoxybenzoic aldehyde; Anisic aldehydeZRSNZINYAWTAHE-UHFFFAOYSA-Nanisaldehyde136.14791.71e+00 g/l1.640.0Show Entry
Arbutin PHUB000568272.089602866C12H16O7PolyphenolsPhenolic acidsMiscellaneous phenolic acidsHydroquinone-beta-D-glucopyranoside; Quinol beta-D-glucosideBJRNKVDFDLYUGJ-RMPHRYRLSA-Nβ-arbutin272.25123.91e+01 g/l-1.360.0Pear / Sweet marjoram / Wheat germ / Whole wheat breadHydroquinone / Hydroquinone glucuronide / Hydroquinone sulfateShow Entry
Avenanthramide 2c PHUB000569315.074287153C16H13NO6PolyphenolsPhenolic acidsHydroxycinnamic acidsAvenanthramide C; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-5-hydroxyanthranilic acidIDUUXROOZBOOPH-QHHAFSJGSA-N2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoic acid315.27758.57e-02 g/l2.550.0Show Entry
Avenanthramide 2f PHUB000570329.089937217C17H15NO6PolyphenolsPhenolic acidsHydroxycinnamic acidsAvenanthramide A1; Avenanthramide B; N-[4'-Hydroxy-3'-methoxy-(E)-cinnamoyl]-5-hydroxyanthranilic acidJXFZHMCSCYADIX-XVNBXDOJSA-N5-hydroxy-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]benzoic acid329.30412.40e-02 g/l2.890.0Show Entry
Avenanthramide 2p PHUB000571299.079372531C16H13NO5PolyphenolsPhenolic acidsHydroxycinnamic acidsAvenanthramide A; Avenanthramide A4; N-[4'-Hydroxy-(E)cinnamoyl]-5-hydroxyanthranilic acidQGUMNWHANDITDB-FPYGCLRLSA-N5-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]benzoic acid299.27814.50e-02 g/l2.960.0Show Entry
Avenanthramide K PHUB000572315.074287153C16H13NO6PolyphenolsPhenolic acidsHydroxycinnamic acidsAVK; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-4-hydroxyanthranilic acidOSILFOKGSJBVLY-QHHAFSJGSA-N2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-4-hydroxybenzoic acid315.27758.67e-02 g/l2.550.0Show Entry
8,5'-Benzofuran diferulic acid PHUB000573386.100167552C20H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsJTHPLBUVRLOJBB-ZZXKWVIFSA-N5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid386.35214.16e-02 g/l2.990.0Show Entry
Caffeic acid   PHUB000574180.042258744C9H8O4PolyphenolsPhenolic acidsHydroxycinnamic acids3,4-Dihydroxycinnamic acidQAIPRVGONGVQAS-DUXPYHPUSA-Ncaffeic acid180.15741.61e+00 g/l1.670.0Apple / Blueberry / Broccoli / Cider / Coffee / Common wheat / Strawberry / White wine grape3-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 / VanilloylglycineShow Entry
Caffeic acid 4-O-glucoside PHUB000575342.09508216C15H18O9PolyphenolsPhenolic acidsHydroxycinnamic acidsOHEYCHKLBCPRLZ-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 acid342.35.92e+00 g/l-0.590.0Show Entry
Caffeic acid ethyl ester PHUB000576208.073558872C11H12O4PolyphenolsPhenolic acidsHydroxycinnamic acidsEthyl 3,4-dihydroxycinnamate; Ethyl caffeateWDKYDMULARNCIS-GQCTYLIASA-Nethyl cinnamate,3,4-dihydroxy208.21068.10e-01 g/l2.600.0Show Entry
Caffeoyl aspartic acid PHUB000577295.069201775C13H13NO7PolyphenolsPhenolic acidsHydroxycinnamic acidsN-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-aspartic acidYNHFZQQNJPOYRC-DUXPYHPUSA-N2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]butanedioic acid295.24485.51e-01 g/l1.470.0Show Entry
Caffeoyl glucose PHUB000578342.09508216C15H18O9PolyphenolsPhenolic acidsHydroxycinnamic acidsWQSDYZZEIBAPIN-SKTDOXOGSA-N(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate342.36.98e+00 g/l-0.700.0Show Entry
Caffeoyl tartaric acid PHUB000579312.048131966C13H12O9PolyphenolsPhenolic acidsHydroxycinnamic acidsCaftaric acidSWGKAHCIOQPKFW-LOMYTOQZSA-N(2S,3S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid312.238.16e-01 g/l1.680.0Show Entry
Caftaric acid PHUB000580312.048131982C13H12O9PolyphenolsPhenolic acidsHydroxycinnamic acids2-O-Caffeoyltartaric acidSWGKAHCIOQPKFW-DUXPYHPUSA-N2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid312.2298.16e-01 g/l1.680.0Grape / Grape wine / Lettuce / SpinachBenzoic acid / 3-(3'-Hydroxyphenyl)propionic acidShow Entry
Campesteryl ferulate PHUB000581576.417860283C38H56O4PolyphenolsPhenolic acidsHydroxycinnamic acidsSWIWTAJTJOYCTB-GZTJUZNOSA-N14-(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-enoate576.8627.41e-06 g/l7.930.0Show Entry
Cardanol [(15:1)-] PHUB000582302.260965715C21H34OPolyphenolsPhenolic acidsMiscellaneous phenolic acidsAnacardol; GinkgolYLKVIMNNMLKUGJ-FPLPWBNLSA-Ncardanol monoene302.5023.38e-05 g/l8.760.0Show Entry
Catechol PHUB000583110.036779436C6H6O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids1,2-Dihydroxybenzene; brenzcatechin; Hydroxyphenol; PyrocatecholYCIMNLLNPGFGHC-UHFFFAOYSA-N120-80-9catechol110.11067.50e+01 g/l0.740.0Show Entry
Chicoric acid PHUB000584474.07982604C22H18O12PolyphenolsPhenolic acidsHydroxycinnamic acidsDicaffeoyl tartaric acidYDDGKXBLOXEEMN-QFZCZCNSSA-Nchicoric acid474.37114.30e-02 g/l3.480.0Show Entry
Chlorogenic acid PHUB000585354.095082174C16H18O9PolyphenolsPhenolic acidsHydroxycinnamic acids3-Caffeoylquinic acidCWVRJTMFETXNAD-KJOPMHRFSA-N(1R,3S,4S,5S)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid354.30873.44e+00 g/l0.170.0Apple / Apricot / Blueberry / Cider / Coffee / European plum / Sweet cherry3-Hydroxybenzoic acid / Benzoic acid / Caffeic acid / Coumaric acid (m-) / Dihydrocaffeic acid / Ferulic acid / Isoferulic acid / 3-(3'-Hydroxyphenyl)propionic acid / 3'-Hydroxyhippuric acid / Hippuric acidShow Entry
Cinnamic acid PHUB000586148.0524295C9H8O2PolyphenolsPhenolic acidsHydroxycinnamic acids3-Prenylacrylic acidWBYWAXJHAXSJNI-VOTSOKGWSA-Ncinnamic acid148.15866.18e-01 g/l2.380.0Show Entry
Cinnamoyl glucose PHUB000587310.10525292C15H18O7PolyphenolsPhenolic acidsHydroxycinnamic acidsPOOVYWIYTSHEES-XMEJZXEJSA-N(2S,3S,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-phenylprop-2-enoate310.3029.42e+00 g/l-0.400.0Show Entry
Coumaric acid (m-)   PHUB000588164.047344122C9H8O3PolyphenolsPhenolic acidsHydroxycinnamic acids3-Hydroxycinnamic acidKKSDGJDHHZEWEP-SNAWJCMRSA-Nm-coumaric acid164.1581.04e+00 g/l1.710.0Blackberry / Blueberry / Broccoli / Cider / Coffee / Grapes / Lettuce / Spinach3'-Hydroxyhippuric acid / Coumaric acid glucuronide (m-)Show Entry
Coumaric acid (o-) PHUB000589164.047344122C9H8O3PolyphenolsPhenolic acidsHydroxycinnamic acids2-Hydroxycinnamic acidPMOWTIHVNWZYFI-AATRIKPKSA-NO-coumaric acid164.1581.15e+00 g/l1.900.0AppleShow Entry
Coumaric acid (p-)   PHUB000590164.047344122C9H8O3PolyphenolsPhenolic acidsHydroxycinnamic acids4-Hydroxycinnamic acidNGSWKAQJJWESNS-ZZXKWVIFSA-Ncoumaric acid164.1581.02e+00 g/l1.740.0Apple / Beer / Wheat breadBenzoic 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-) PHUB000591326.100167552C15H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsLJFYQZQUAULRDF-FDGSXQGBSA-N(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid326.29865.08e+00 g/l-0.350.0Show Entry
Coumaric acid ethyl ester (p-) PHUB000592192.07864425C11H12O3PolyphenolsPhenolic acidsHydroxycinnamic acidsZOQCEVXVQCPESC-VMPITWQZSA-Nethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate192.21121.08e+00 g/l3.070.0Show Entry
Coumaroyl glucose (p-) PHUB000593326.10016754C15H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsDSNCQKUYZOSARM-AIABZAGBSA-N(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate326.3018.20e+00 g/l-0.510.0Show Entry
Coumaroyl glycolic acid (p-) PHUB000594222.05282343C11H10O5PolyphenolsPhenolic acidsHydroxycinnamic acidsRMPWEBYRPJQKNT-ZZXKWVIFSA-N{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}acetic acid222.19413.71e-01 g/l2.430.0Show Entry
Coumaroyl malic acid (p-) PHUB000595280.058302738C13H12O7PolyphenolsPhenolic acidsHydroxycinnamic acidsQVPHNABUSKBIMG-ZZXKWVIFSA-N2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid280.23021.42e-01 g/l1.640.0Show Entry
Coumaroyl tartaric acid (p-) PHUB000596296.05321736C13H12O8PolyphenolsPhenolic acidsHydroxycinnamic acidsINYJZRKTYXTZHP-ZZXKWVIFSA-N2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid296.22968.63e-01 g/l1.490.0Show Entry
Coumaroyl tyrosine (p-) PHUB000597327.110672659C18H17NO5PolyphenolsPhenolic acidsHydroxycinnamic acidsDeoxyclovamide; N-[4'-Hydroxy-(E)-cinnamoyl]-L-tyrosineLEEDEKWKJVUWGA-BJMVGYQFSA-N3-(4-hydroxyphenyl)-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]propanoic acid327.33132.43e-02 g/l2.350.0Show Entry
Coumaroylquinic acid (p-) PHUB000598338.10016754C16H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsXWRHBGVVCOSNKO-KOLZQLRYSA-N(3S,5S)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid338.3123.54e+00 g/l0.120.0Show Entry
Danielone PHUB000599212.068473494C10H12O5PolyphenolsPhenolic acidsMiscellaneous phenolic acidsZTBAPEIDNUHRNC-UHFFFAOYSA-Ndanielone212.19933.78e+00 g/l0.630.0Show Entry
5,5'-Diferulic acid PHUB000600386.100167552C20H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsLBQZVWQOPFFQJI-GGWOSOGESA-Ndiferulic acid386.35211.12e-02 g/l2.990.0Common wheat / Corn5,5'-Dicaffeic acid / 5,5'-Dihydroferulic acid / Caffeic acid-5-5-dihydrocaffeic acid / Ferulic acid-5-5-caffeic acid / Ferulic acid-5-5-dihydroferulic acidShow Entry
8,5'-Diferulic acid PHUB000601386.10016754C20H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsDEPVSDIYICBTJE-SITOFEAGSA-N(2E)-2-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-hydroxy-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid386.3561.74e-02 g/l3.110.0Show Entry
8-O-4'-Diferulic acid PHUB000602386.10016754C20H18O8PolyphenolsPhenolic acidsHydroxycinnamic acidsGGCXWTMEZZGUFT-ZMCAKAGVSA-N(2Z)-2-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid386.3561.03e-02 g/l3.440.0Show Entry
Dicaffeoylquinic acid PHUB000603516.126776213C25H24O12PolyphenolsPhenolic acidsHydroxycinnamic acidsYDDUMTOHNYZQPO-KDBOUVDRSA-N(1S,3S,4R,5S)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid516.4551.37e-01 g/l2.070.0Show Entry
Dihydrocaffeic acid   PHUB000604182.057908808C9H10O4PolyphenolsPhenolic acidsHydroxycinnamic acids2,3-Dihydrocaffeic acid; 3-(3,4-Dihydroxyphenyl)-propanoic acid; 3,4-Dihydroxyhydrocinnamic acidDZAUWHJDUNRCTF-UHFFFAOYSA-Ndihydrocaffeic acid182.17332.62e+00 g/l1.040.0Blueberry / Broccoli / Cider / Coffee / Common wheat / Corn / Grapes / Lemon / Lettuce / Lime / Olive / Spinach / Wheat breadVanillic 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 sulfateShow Entry
Dihydro-p-coumaric acid PHUB000605166.062994186C9H10O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Hydroxy-phenyl-propanoic acid; 4-Hydroxyphenylpropionic acid; p-Hydroxyphenylpropanoate; Phloretic acidNMHMNPHRMNGLLB-UHFFFAOYSA-Nhydroxyphenyl propionic acid166.17392.71e+00 g/l1.150.0Show Entry
Eugenol PHUB000606164.083729628C10H12O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids2-Methoxy-4-prop-2-enylbenzene; 4-Allylguaiacol; Eugenic acidRRAFCDWBNXTKKO-UHFFFAOYSA-Neugenol164.20111.44e+00 g/l2.660.0Cassia cinnamon / Cloves / Coriander / Nutmeg / Sweet marjoramShow Entry
Ferulaldehyde PHUB000607178.062994186C10H10O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Hydroxy-3-methoxycinnamaldehyde; ConiferilaldehydeDKZBBWMURDFHNE-NSCUHMNNSA-Nconiferaldehyde178.18461.47e+00 g/l2.220.0Show Entry
Ferulic acid   PHUB000608194.057908808C10H10O4PolyphenolsPhenolic acidsHydroxycinnamic acids3-methoxy-4-hydroxycinnamic acidKSEBMYQBYZTDHS-HWKANZROSA-Nferulic acid194.1849.06e-01 g/l1.580.0Beer / 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 wine3-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 acidShow Entry
Ferulic acid 4-O-glucoside PHUB000609356.110732224C16H20O9PolyphenolsPhenolic acidsHydroxycinnamic acidsIEMIRSXOYFWPFD-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 acid356.3274.91e+00 g/l-0.290.0Show Entry
Feruloyl glucose PHUB000610356.110732238C16H20O9PolyphenolsPhenolic acidsHydroxycinnamic acidsADHNTNYEJYJUCU-ZSJFXSENSA-N(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate356.32465.59e+00 g/l-0.440.0Show Entry
Feruloyl tartaric acid PHUB000611326.063782046C14H14O9PolyphenolsPhenolic acidsHydroxycinnamic acidsFertaric acidXIWXUSFCUBAMFH-SCBUBVSKSA-N(2S,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid326.25566.39e-01 g/l1.360.0Show Entry
Gallic aldehyde PHUB000612154.02660868C7H6O4PolyphenolsPhenolic acidsMiscellaneous phenolic acids3,4,5-Trihydroxybenzoic aldehydeRGZHEOWNTDJLAQ-UHFFFAOYSA-N3,4,5-trihydroxybenzaldehyde154.12016.81e+00 g/l0.730.0Show Entry
Gentisyl alcohol PHUB000613140.047344118C7H8O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids2,5-Dihydrobenzyl alcohol; Gentisin alcoholPUZSUVGRVHEUQO-UHFFFAOYSA-Ngentisyl alcohol140.1383.65e+01 g/l-0.270.0Show Entry
Gingerdione ([6]-) PHUB000614292.167459253C17H24O4PolyphenolsPhenolic acidsMiscellaneous phenolic acidsPNKMFYBIRZAWQN-OWBHPGMISA-Ngingerdione292.3754.50e-02 g/l3.720.0Show Entry
Gingerenone A PHUB000615356.162373878C21H24O5PolyphenolsPhenolic acidsMiscellaneous phenolic acidsFWDXZNKYDTXGOT-GQCTYLIASA-Ngingerenone A356.41233.60e-03 g/l4.240.0Show Entry
Gingerol ([6]-) PHUB000616294.183109317C17H26O4PolyphenolsPhenolic acidsMiscellaneous phenolic acids5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-oneNLDDIKRKFXEWBK-AWEZNQCLSA-Ngingerol294.3917.96e-02 g/l3.450.0Show Entry
Homovanillic acid PHUB000617182.057908808C9H10O4PolyphenolsPhenolic acidsMiscellaneous phenolic acids3-Methoxy-4-hydroxyphenylacetate; 3-Methoxy-4-hydroxyphenylacetic acid; 3'-Methoxy-4'-hydroxyphenylacetic acid;; 4-Hydroxy-3-methoxybenzeneacetic acidQRMZSPFSDQBLIX-UHFFFAOYSA-Nhomovanillic acid182.17332.72e+00 g/l1.020.0Orange flavanonesShow Entry
Homoveratric acid PHUB000618196.073558872C10H12O4PolyphenolsPhenolic acidsMiscellaneous phenolic acids3,4-Dimethoxybenzeneacetic acid; 3,4-Dimethoxyphenylacetic acidWUAXWQRULBZETB-UHFFFAOYSA-N3,4-dimethoxyphenylacetic acid196.19991.21e+00 g/l1.580.0Show Entry
Hydroxycaffeic acid PHUB000619196.037173366C9H8O5PolyphenolsPhenolic acidsHydroxycinnamic acidsRHGWNBSOWGUGPA-DUXPYHPUSA-N(2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid196.15681.43e+00 g/l1.480.0Show Entry
Isochlorogenic acid b PHUB000620514.147511657C26H26O11PolyphenolsPhenolic acidsHydroxycinnamic acidsKWDHTKPGVPXTCW-OKXQOVHHSA-N(1R,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxy-1-methylcyclohexane-1-carboxylic acid514.4832.83e-02 g/l2.570.0Show Entry
Isoeugenol PHUB000621164.083729628C10H12O2PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-PropenylguaiacolBJIOGJUNALELMI-ONEGZZNKSA-Nisoeugenol164.20111.36e+00 g/l2.790.0Show Entry
Isoferulic acid PHUB000622194.057908808C10H10O4PolyphenolsPhenolic acidsHydroxycinnamic acids4-Methoxy-3-Hydroxycinnamic acid; 4-Methylcaffeic acid; Hesperetic acidQURCVMIEKCOAJU-HWKANZROSA-Nisoferulic acid194.1848.71e-01 g/l1.560.0Caffeic acid / Chlorogenic acid / Dihydrocaffeic acidShow Entry
Melilotic acid PHUB000623166.062994186C9H10O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids3-(2-Hydroxyphenyl)propionic acid; Dihydro-o-coumaric acid; o-Hydrocoumaric acidCJBDUOMQLFKVQC-UHFFFAOYSA-Nmelilotic acid166.17392.76e+00 g/l1.120.0Show Entry
Methoxyphenylacetic acid PHUB000624166.062994186C9H10O3PolyphenolsPhenolic acidsMiscellaneous phenolic acidsDIWVBIXQCNRCFE-UHFFFAOYSA-Nmethoxy(phenyl)acetic acid166.17391.06e+01 g/l0.770.0Show Entry
Neochlorogenic acid PHUB000625354.095082174C16H18O9PolyphenolsPhenolic acidsHydroxycinnamic acids3-Caffeoylquinic acidCWVRJTMFETXNAD-DUXPYHPUSA-Nchlorogenic acid354.30873.44e+00 g/l0.170.0Apricot / Sweet cherryShow Entry
Paeonol PHUB000626166.062994186C9H10O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids2'-Hydroxy-4'-methoxyacetophenoneUILPJVPSNHJFIK-UHFFFAOYSA-Npaeonol166.17392.98e+00 g/l1.600.0Show Entry
Paradol ([6]-) PHUB000627278.188194698C17H26O3PolyphenolsPhenolic acidsMiscellaneous phenolic acidsCZNLTCTYLMYLHL-UHFFFAOYSA-Nparadol278.38651.13e-02 g/l4.890.0Show Entry
Phenethyl alcohol PHUB000628122.073164942C8H10OPolyphenolsPhenolic acidsMiscellaneous phenolic acidsBenzyl alcohol; beta-HydroxyethylbenzeneWRMNZCZEMHIOCP-UHFFFAOYSA-Nphenylethanol122.16441.13e+01 g/l1.510.0Show Entry
Phenethyl caffeate PHUB000629284.104859C17H16O4PolyphenolsPhenolic acidsMiscellaneous phenolic acidsSWUARLUWKZWEBQ-VQHVLOKHSA-Ncaffeic acid phenethyl ester284.30656.29e-02 g/l3.650.0Show Entry
Prenyl caffeate PHUB000630248.104859C14H16O4PolyphenolsPhenolic acidsMiscellaneous phenolic acidsTTYOHMFLCXENHR-GQCTYLIASA-Nprenyl caffeate248.27441.57e-01 g/l3.240.0Show Entry
Protocatechuic aldehyde PHUB000631138.031694058C7H6O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids3,4-Dihydroxybenzoic aldehydeIBGBGRVKPALMCQ-UHFFFAOYSA-N3,4-dihydroxybenzaldehyde138.12071.43e+01 g/l0.890.0Show Entry
Pyrogallol PHUB000632126.031694058C6H6O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids1,2,3-Benzenetriol; 1,2,3-Trihydroxybenzene; 1,2,3-trihydroxyphenol; Pyrogallic acidWQGWDDDVZFFDIG-UHFFFAOYSA-Npyrogallol126.115.18e+01 g/l0.340.0Pyrogallol-2-O-sulfateShow Entry
Quinic acid PHUB000633192.063388116C7H12O6PolyphenolsPhenolic acidsMiscellaneous phenolic acidsAAWZDTNXLSGCEK-UHFFFAOYSA-Nquinic acid192.16667.65e+02 g/l-2.460.0Apple / Banana / Blueberry / Carrot / Cider / Coffee / German camomile / Mango / Papaya / Pepper C. annuum / PineappleHippuric acidShow Entry
Rosmarinic acid PHUB000634360.084517475C18H16O8PolyphenolsPhenolic acidsHydroxycinnamic acidsDOUMFZQKYFQNTF-GIZXNFQBSA-N(S)-rosmarinic acid360.3184.07e-02 g/l2.570.0Show Entry
Schottenol ferulate PHUB000635590.433510348C39H58O4PolyphenolsPhenolic acidsHydroxycinnamic acidsBGOCOVGWMXAQCQ-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-enoate590.8898.29e-06 g/l9.180.0Show Entry
Shogaol ([6]-) PHUB000636276.172544633C17H24O3PolyphenolsPhenolic acidsMiscellaneous phenolic acidsOQWKEEOHDMUXEO-BQYQJAHWSA-Nshogaol276.3768.88e-03 g/l4.950.0Show Entry
Sinapaldehyde PHUB000637208.073558872C11H12O4PolyphenolsPhenolic acidsMiscellaneous phenolic acidsCDICDSOGTRCHMG-ONEGZZNKSA-Nsinapyl aldehyde208.21066.79e-01 g/l2.220.0Show Entry
Sinapic acid PHUB000638224.068473494C11H12O5PolyphenolsPhenolic acidsHydroxycinnamic acids3,5-Dimethoxy-4-hydroxycinnamic acid; Sinapate; Sinapinic acid; Synapoic acidPCMORTLOPMLEFB-ONEGZZNKSA-Nsinapinic acid224.216.31e-01 g/l1.630.0Beer / Cranberry / Rapeseed / Vinegar / White wineSinapic acid O-glucuronide / Sinapic acid-O-sulfateShow Entry
Sinapine PHUB000639310.165447883C16H24NO5PolyphenolsPhenolic acidsHydroxycinnamic acids4-Hydroxy-3,5-dimethoxycinnamate choline; Sinapic acid choline esterHUJXHFRXWWGYQH-UHFFFAOYSA-O(2-{[(2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium310.36551.41e-02 g/l-0.930.0RapeseedShow Entry
Sitostanyl ferulate PHUB000640592.449160412C39H60O4PolyphenolsPhenolic acidsHydroxycinnamic acidsRAKOKKNCCBUUMP-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-enoate592.9054.39e-06 g/l8.260.0Show Entry
Sitosterol ferulate PHUB000641590.433510348C39H58O4PolyphenolsPhenolic acidsHydroxycinnamic acidsROUSJNZGMHNWOS-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-enoate590.8897.34e-06 g/l8.420.0Show Entry
Stigmastanol ferulate PHUB000642592.449160412C39H60O4PolyphenolsPhenolic acidsHydroxycinnamic acidsRAKOKKNCCBUUMP-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-enoate592.9054.39e-06 g/l8.260.0Show Entry
Subaphyllin PHUB000643264.147392512C14H20N2O3PolyphenolsPhenolic acidsMiscellaneous phenolic acidsFeruoylputrescineSFUVCMKSYKHYLD-FNORWQNLSA-N(2E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide264.3252.89e-01 g/l0.900.0Show Entry
Syringaldehyde PHUB000644182.057908808C9H10O4PolyphenolsPhenolic acidsMiscellaneous phenolic acids3,5-Dimethoxy-4-hydroxybenzoic aldehydeKCDXJAYRVLXPFO-UHFFFAOYSA-Nsyringaldehyde182.17333.68e+00 g/l1.330.0Show Entry
Vanillin PHUB000645152.047344122C8H8O3PolyphenolsPhenolic acidsMiscellaneous phenolic acids4-Hydroxy-3-methoxy-benzoic aldehyde; Methylprotocatechuic aldehyde; p-Vanillin; Vanillic aldehydeMWOOGOJBHIARFG-UHFFFAOYSA-Nvanillin152.14735.05e+00 g/l1.310.0VanillaVanillin 4-sulfateShow Entry
Verbascoside PHUB000646624.205420459C29H36O15PolyphenolsPhenolic acidsHydroxycinnamic acids2-(3,4-Dihydroxyphenylethyl) 1-O-a-l-rhamnopyranosyl-(1-3)-b-d-(4-O-caffeyl) glucopyranoside; Acteoside; Acteoside 1; Caffeoyl-rhamnosyl-glucoside of hydroxytyrosol; KusagininFBSKJMQYURKNSU-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-enoate624.5929.66e-01 g/l1.090.0Show Entry
3,7-Dimethylquercetin PHUB000647330.073952802C17H14O7PolyphenolsFlavonoidsFlavonols5,3',4'-Trihydroxy-3,7-dimethoxyflavoneLUJAXSNNYBCFEE-UHFFFAOYSA-NDTHF330.28896.33e-02 g/l3.000.0Show Entry
3-Methoxynobiletin PHUB000648432.142032366C22H24O9PolyphenolsFlavonoidsFlavonols3,5,6,7,8,3',4'-HeptamethoxyflavoneSSXJHQZOHUYEGD-UHFFFAOYSA-N2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one432.42061.10e-02 g/l2.390.0Show Entry
3-Methoxysinensetin PHUB000649402.13146768C21H22O8PolyphenolsFlavonoidsFlavonols3,5,6,7,3',4'-HexamethoxyflavoneCHXSDKWBSFDZEU-UHFFFAOYSA-Nhexamethylquercetagetin402.39469.91e-03 g/l2.510.0Show Entry
5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide PHUB000650520.085305348C23H20O14PolyphenolsFlavonoidsFlavonolsCHIQYVBCRPLTQS-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 acid520.39651.06e+00 g/l1.220.0Show Entry
5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide PHUB000651534.100955412C24H22O14PolyphenolsFlavonoidsFlavonolsSYRSHYBWNZNHHW-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 acid534.42317.17e-01 g/l0.990.0Show Entry
6,8-Dihydroxykaempferol PHUB000652318.037567296C15H10O8PolyphenolsFlavonoidsFlavonols3,5,6,7,8,4'-HexahydroxyflavoneWZIBNDUAQVRELQ-UHFFFAOYSA-N3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)chromen-4-one318.23513.44e-01 g/l1.720.0Show Entry
Astragalin PHUB000653448.100561482C21H20O11PolyphenolsFlavonoidsFlavonolsKaempferol 3-O-glucosideJPUKWEQWGBDDQB-QSOFNFLRSA-Nastragalin448.37691.58e+00 g/l0.520.0Show Entry
Avicularin PHUB000654434.084911418C20H18O11PolyphenolsFlavonoidsFlavonolsQuercetin 3-O-arabinosidePZZRDJXEMZMZFD-IEGSVRCHSA-N2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one434.35031.38e+00 g/l0.700.0Show Entry
Axillarin PHUB000655346.068867424C17H14O8PolyphenolsFlavonoidsFlavonolsQuercetagenin 3,6-dimethyl etherKIGVXRGRNLQNNI-UHFFFAOYSA-Naxillarin346.28831.11e-01 g/l2.660.0Show Entry
Chrysosplenetin PHUB000656374.100167552C19H18O8PolyphenolsFlavonoidsFlavonolsPolycladin; Quercetagenin 3,6,7,3'-tetramethyl etherNBVTYGIYKCPHQN-UHFFFAOYSA-Nchrysosplenetin374.34144.47e-02 g/l2.660.0Show Entry
Fisetin PHUB000657286.047738052C15H10O6PolyphenolsFlavonoidsFlavonolsXHEFDIBZLJXQHF-UHFFFAOYSA-Nviset286.23631.51e-01 g/l2.030.0Show Entry
Galangin PHUB000658270.05282343C15H10O5PolyphenolsFlavonoidsFlavonols3,5,7-TrihydroxyflavoneVCCRNZQBSJXYJD-UHFFFAOYSA-Ngalangin270.23691.17e-01 g/l2.390.0Show Entry
Galangin 3,5,7-trimethyl ether PHUB000659312.099773615C18H16O5PolyphenolsFlavonoidsFlavonolsCBTHKWVPSIGKMI-UHFFFAOYSA-Ngalangin trimethyl ether312.3212.85e-02 g/l3.250.0Show Entry
Hyperin PHUB000660464.095476104C21H20O12PolyphenolsFlavonoidsFlavonolsHyperoside; Quercetin 3-O-galactosideOVSQVDMCBVZWGM-DTGCRPNFSA-Nhyperoside464.37631.95e+00 g/l0.470.0Show Entry
Isoquercitrin PHUB000661464.095476104C21H20O12PolyphenolsFlavonoidsFlavonolsQuercetin 3-O-glucosideOVSQVDMCBVZWGM-QSOFNFLRSA-Nisoquercitin464.37631.95e+00 g/l0.470.0Show Entry
Isorhamnetin PHUB000662316.058302738C16H12O7PolyphenolsFlavonoidsFlavonols3,5,7,4'-Tetrahydroxy-3'-methoxyflavone; 3'-MethylquercetinIZQSVPBOUDKVDZ-UHFFFAOYSA-Nisorhamnetin316.26231.49e-01 g/l1.960.0Quercetin / Quercetin 4'-O-glucosideShow Entry
Isorhamnetin 3-O-galactoside PHUB000663478.111126168C22H22O12PolyphenolsFlavonoidsFlavonolsCQLRUIIRRZYHHS-UVHBULKNSA-N5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one478.40291.22e+00 g/l0.640.0Show Entry
Isorhamnetin 3-O-glucoside PHUB000664478.111126168C22H22O12PolyphenolsFlavonoidsFlavonolsCQLRUIIRRZYHHS-LFXZADKFSA-N5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one478.40291.22e+00 g/l0.640.0Show Entry
Isorhamnetin 3-O-glucoside 7-O-rhamnoside PHUB000665624.169034976C28H32O16PolyphenolsFlavonoidsFlavonolsNEJKEXUJCSYMCC-PXBUXKMDSA-N5-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-one624.54412.53e+00 g/l-0.100.0Show Entry
Isorhamnetin 3-O-glucuronide PHUB000666492.090390726C22H20O13PolyphenolsFlavonoidsFlavonolsVVZWHOMBDMMRSC-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 acid492.38641.71e+00 g/l1.400.0Quercetin / Quercetin 3,4'-O-diglucoside / Quercetin 4'-O-glucosideShow Entry
Isorhamnetin 3-O-rutinoside PHUB000667462.116211546C22H22O11PolyphenolsFlavonoidsFlavonolsVCUKTRIKOSSHLY-HMMBGAFDSA-N3-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one462.40359.63e-01 g/l1.680.0Show Entry
Isorhamnetin 4'-O-glucoside PHUB000668478.111126168C22H22O12PolyphenolsFlavonoidsFlavonolsVTDBDVABTGGRMO-UHFFFAOYSA-N3,5,7-trihydroxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one478.40298.97e-01 g/l0.500.0Show Entry
Isorhamnetin 7-O-rhamnoside PHUB000669478.111126168C22H22O12PolyphenolsFlavonoidsFlavonolsYCUNOXSUHVGZRI-XMHBHJPISA-N3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one478.40291.07e+00 g/l0.490.0Show Entry
Jaceidin 4'-O-glucuronide PHUB000670536.116605476C24H24O14PolyphenolsFlavonoidsFlavonolsIXUDTZUOBGRRSD-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 acid536.4399.80e-01 g/l1.330.0Show Entry
Kaempferide PHUB000671299.055563084C16H11O6PolyphenolsFlavonoidsFlavonols3,5,7-Trihydroxy-4'-methoxyflavone; 4'-MethylkaempferolSQFSKOYWJBQGKQ-UHFFFAOYSA-Mkaempferide(1-)299.25491.24e-01 g/l2.760.0Show Entry
Kaempferol PHUB000672286.047738052C15H10O6PolyphenolsFlavonoidsFlavonols3,5,7,4'-TetrahydroxyflavoneIYRMWMYZSQPJKC-UHFFFAOYSA-Nkaempferol286.23631.78e-01 g/l1.990.0Broccoli / Common cabbageKaempferol 3-glucuronideShow Entry
Kaempferol 3,7,4'-O-triglucoside PHUB000673772.206208342C33H40O21PolyphenolsFlavonoidsFlavonolsGZKTYMIMRMNEII-GZIDCZEMSA-N5-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-one772.65817.55e+00 g/l-1.210.0Show Entry
Kaempferol 3,7-O-diglucoside PHUB000674610.153384912C27H30O16PolyphenolsFlavonoidsFlavonolsXFFQVRFGLSBFON-DEFKTLOSSA-N5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one610.51753.81e+00 g/l-0.690.0Show Entry
Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside PHUB000675784.206208342C34H40O21PolyphenolsFlavonoidsFlavonolsUNWFAGYVJIJZNQ-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 carbonate784.66884.87e+00 g/l0.080.0Show Entry
Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside PHUB000676740.216379098C33H40O19PolyphenolsFlavonoidsFlavonolsDDELFAUOHDSZJL-KINVIYQBSA-N3-{[(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-one740.65936.09e+00 g/l-0.260.0Show Entry
Kaempferol 3-O-(6''-malonyl-glucoside) PHUB000677534.100955412C24H22O14PolyphenolsFlavonoidsFlavonolsXEXCLTHHXIWUHO-UJKBSQBPSA-N3-{[(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 acid534.42318.22e-01 g/l1.210.0Show Entry
Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside PHUB000678636.169034976C29H32O16PolyphenolsFlavonoidsFlavonolsGMYLPJSOUAYAGD-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 acetate636.55481.64e+00 g/l0.450.0Show Entry
Kaempferol 3-O-acetyl-glucoside PHUB000679490.111126168C23H22O12PolyphenolsFlavonoidsFlavonolsAKENCGNASJPQNR-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 acetate490.41369.67e-01 g/l1.460.0Show Entry
Kaempferol 3-O-galactoside 7-O-rhamnoside PHUB000680594.15847029C27H30O15PolyphenolsFlavonoidsFlavonolsJYXSWDCPHRTYGU-UHFFFAOYSA-N5-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-one594.51812.61e+00 g/l-0.180.0Show Entry
Kaempferol 3-O-glucosyl-rhamnosyl-galactoside PHUB000681756.21129372C33H40O20PolyphenolsFlavonoidsFlavonolsMFIXKYXSBNIMPX-CHLFRWFTSA-N3-{[(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-one756.65878.88e+00 g/l-0.590.0Show Entry
Kaempferol 3-O-glucosyl-rhamnosyl-glucoside PHUB000682756.21129372C33H40O20PolyphenolsFlavonoidsFlavonolsMFIXKYXSBNIMPX-PBVGSPQASA-N3-{[(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-one756.65878.88e+00 g/l-0.590.0Show Entry
Kaempferol 3-O-glucuronide PHUB000683462.07982604C21H18O12PolyphenolsFlavonoidsFlavonolsFNTJVYCFNVUBOL-UHFFFAOYSA-N6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid462.36041.96e+00 g/l1.400.0Show Entry
Kaempferol 3-O-rhamnoside PHUB000684431.097821828C21H19O10PolyphenolsFlavonoidsFlavonolsSOSLMHZOJATCCP-MKMJNHTISA-M7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-5-olate431.36961.19e+00 g/l1.380.0Show Entry
Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside PHUB000685740.216379098C33H40O19PolyphenolsFlavonoidsFlavonolsWQRYALSJYYLFRY-YBDKOUSASA-N3-{[(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-one740.65936.58e+00 g/l-0.120.0Show Entry
Kaempferol 3-O-rutinoside PHUB000686594.15847029C27H30O15PolyphenolsFlavonoidsFlavonolsKaempferol 3-O-rhamnosyl-glucoside; NicotiflorineRTATXGUCZHCSNG-QHWHWDPRSA-N5,7-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-one594.51813.07e+00 g/l0.070.0ApricotShow Entry
Kaempferol 3-O-sophoroside PHUB000687610.153384912C27H30O16PolyphenolsFlavonoidsFlavonolsLKZDFKLGDGSGEO-UJECXLDQSA-Nkaempferol 3-o-sophoroside610.51756.07e+00 g/l-0.550.0Show Entry
Kaempferol 3-O-sophoroside 7-O-glucoside PHUB000688772.206208342C33H40O21PolyphenolsFlavonoidsFlavonolsMBFNAZBJKVFNKZ-UHFFFAOYSA-N3-{[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-one772.65811.27e+01 g/l-0.960.0Show Entry
Kaempferol 3-O-xylosyl-glucoside PHUB000689580.142820226C26H28O15PolyphenolsFlavonoidsFlavonolsXZTRGHMNLXAJPZ-DGBSRBSYSA-N3-{[(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-one580.49152.95e+00 g/l-0.180.0Show Entry
Kaempferol 3-O-xylosyl-rutinoside PHUB000690740.216379098C33H40O19PolyphenolsFlavonoidsFlavonolsUYVBMGULWGRDQT-VLYLGZBPSA-N3-{[(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-one740.65936.09e+00 g/l-0.120.0Show Entry
Kaempferol 7-O-glucoside PHUB000691448.100561464C21H20O11PolyphenolsFlavonoidsFlavonolsYPWHZCPMOQGCDQ-CXWQUDHASA-N3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one448.381.30e+00 g/l0.330.0Show Entry
Methylgalangin PHUB000692284.068473494C16H12O5PolyphenolsFlavonoidsFlavonolsLYISDADPVOHJBJ-UHFFFAOYSA-Ngalangin 3-methyl ether284.26356.63e-02 g/l3.490.0Show Entry
Morin PHUB000693302.042652674C15H10O7PolyphenolsFlavonoidsFlavonols3,5,7,2',4'-PentahydroxyflavoneYXOLAZRVSSWPPT-UHFFFAOYSA-Nbois d,arc302.23573.05e-01 g/l2.230.0Show Entry
Myricetin PHUB000694318.037567296C15H10O8PolyphenolsFlavonoidsFlavonols3,5,7,3',4',5'-HexahydroxyflavoneIKMDFBPHZNJCSN-UHFFFAOYSA-Nmyricetin318.23513.01e-01 g/l1.660.0Black tea / Blackcurrant / Broccoli / Common bean / Common cabbage / Garlic / Red chili / Red wineMyricetin 3-O-glucuronide / Myricetin 5-O-glucuronide / Myricetin 7-O-glucuronideShow Entry
Myricetin 3-O-arabinoside PHUB000695450.07982604C20H18O12PolyphenolsFlavonoidsFlavonolsOXJKSVCEIOYZQL-UHFFFAOYSA-N3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one450.34971.68e+00 g/l0.650.0Show Entry
Myricetin 3-O-galactoside PHUB000696480.090390726C21H20O13PolyphenolsFlavonoidsFlavonolsFOHXFLPXBUAOJM-MGMURXEASA-N5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one480.37572.31e+00 g/l0.490.0Show Entry
Myricetin 3-O-glucoside PHUB000697480.090390726C21H20O13PolyphenolsFlavonoidsFlavonolsZJYAVUPWMNHHEU-GFOOFYSOSA-N2-(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-one480.37572.23e+00 g/l0.440.0Show Entry
Myricetin 3-O-rutinoside PHUB000698626.148299534C27H30O17PolyphenolsFlavonoidsFlavonolsMyricetin 3-O-rhamnosyl-glucosideQCIILLDRJZPUDI-UHFFFAOYSA-N5,7-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-one626.51694.45e+00 g/l0.230.0Show Entry
Myricitrin PHUB000699464.095476104C21H20O12PolyphenolsFlavonoidsFlavonolsMyricetin 3-O-rhamnosideDCYOADKBABEMIQ-OWMUPTOHSA-Nmyricitrin464.37632.43e+00 g/l1.180.0Show Entry
Patuletin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside PHUB000700964.248467086C43H48O25PolyphenolsFlavonoidsFlavonolsVSMDAOFJZBLZOB-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-enoate964.82621.49e+00 g/l1.000.0Show Entry
Patuletin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside PHUB000701788.201122964C33H40O22PolyphenolsFlavonoidsFlavonolsIQBTXBIIGNASBG-UHFFFAOYSA-N3-[(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-one788.65759.58e+00 g/l-0.740.0Show Entry
Quercetin   PHUB000702302.042652674C15H10O7PolyphenolsFlavonoidsFlavonols3,5,7,3',4'-PentahydroxyflavoneREFJWTPEDVJJIY-UHFFFAOYSA-Nquercetin302.23572.61e-01 g/l1.810.0Benzoic 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 sulfateShow Entry
Quercetin 3,4'-O-diglucoside PHUB000703626.148299534C27H30O17PolyphenolsFlavonoidsFlavonolsRPVIQWDFJPYNJM-DEFKTLOSSA-N5,7-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-one626.51694.59e+00 g/l-0.800.0Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / Quercetin 3'-O-glucuronide / Quercetin diglucuronide / Quercetin glucuronide sulfate / Quercetin 3'-sulfateShow Entry
Quercetin 3-O-(6''-malonyl-glucoside) PHUB000704550.095870008C24H22O15PolyphenolsFlavonoidsFlavonolsNBQPHANHNTWDML-UJKBSQBPSA-Nquercetin 3-O-malonylglucoside550.4251.16e+00 g/l1.140.0Show Entry
Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside PHUB000705712.148693464C30H32O20PolyphenolsFlavonoidsFlavonolsZLQYEKDHCDLAGO-UHFFFAOYSA-N3-[(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 acid712.56312.86e+00 g/l-0.010.0Show Entry
Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside PHUB000706652.163949598C29H32O17PolyphenolsFlavonoidsFlavonolsQBFLREGYLMFMCL-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 acetate652.55421.84e+00 g/l0.420.0Show Entry
Quercetin 3-O-acetyl-rhamnoside PHUB000707490.111126148C23H22O12PolyphenolsFlavonoidsFlavonolsQYSPPPJDISHVRH-UHFFFAOYSA-N2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate490.4171.15e+00 g/l2.390.0Show Entry
Quercetin 3-O-galactoside 7-O-rhamnoside PHUB000708610.153384886C27H30O16PolyphenolsFlavonoidsFlavonolsOTUCXMIQUNROBJ-QMDWLNLESA-N2-(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-one610.5213.37e+00 g/l-0.240.0Show Entry
Quercetin 3-O-glucosyl-rhamnosyl-galactoside PHUB000709772.206208308C33H40O21PolyphenolsFlavonoidsFlavonolsXEFNBVWDOQCMSG-NMNTUQBFSA-N3-{[(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-one772.6621.04e+01 g/l-0.560.0Show Entry
Quercetin 3-O-glucosyl-rhamnosyl-glucoside PHUB000710772.206208308C33H40O21PolyphenolsFlavonoidsFlavonolsXEFNBVWDOQCMSG-SMBODKLQSA-N3-{[(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-one772.6621.04e+01 g/l-0.560.0Show Entry
Quercetin 3-O-glucosyl-xyloside PHUB000711596.137734822C26H28O16PolyphenolsFlavonoidsFlavonolsZFGBNYDDAJMWAZ-QVIYDXLUSA-N3-{[(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-one596.4943.65e+00 g/l-0.080.0Show Entry
Quercetin 3-O-glucuronide PHUB000712478.074740662C21H18O13PolyphenolsFlavonoidsFlavonolsDUBCCGAQYVUYEU-UHFFFAOYSA-Nmiquelianin478.35982.40e+00 g/l1.370.0Quercetin / Quercetin 3,4'-O-diglucoside / Quercetin 4'-O-glucosideShow Entry
Quercetin 3-O-rhamnosyl-galactoside PHUB000713610.153384886C27H30O16PolyphenolsFlavonoidsFlavonolsFYBMGZSDYDNBFX-FRGHCPTHSA-N3-{[(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-one610.5214.78e+00 g/l0.150.0Show Entry
Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside PHUB000714756.211293688C33H40O20PolyphenolsFlavonoidsFlavonols2)-rhamnosyl-(1-> 6)-glucoside; Quercetin 3-O-rhamnosyl-(1-&gtPWFJILMZPHBSAY-YXVKQPDWSA-N3-{[(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-one756.6636.15e+00 g/l-0.090.0Show Entry
Quercetin 3-O-sophoroside PHUB000715626.148299506C27H30O17PolyphenolsFlavonoidsFlavonolsRDUAJIJVNHKTQC-WWXIKMEQSA-N3-{[(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-one626.527.32e+00 g/l-0.500.0Show Entry
Quercetin 3-O-xyloside PHUB000716434.0849114C20H18O11PolyphenolsFlavonoidsFlavonolsReynoutrinPZZRDJXEMZMZFD-NLUOOAQGSA-N2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one434.3531.38e+00 g/l0.700.0Show Entry
Quercetin 3-O-xylosyl-glucuronide PHUB000717610.116999406C26H26O17PolyphenolsFlavonoidsFlavonolsDKHSNOLJPXJJMD-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-carboxylate610.47445.45e+00 g/l0.330.0Show Entry
Quercetin 3-O-xylosyl-rutinoside PHUB000718742.195643624C32H38O20PolyphenolsFlavonoidsFlavonolsRLTNQOUWXZXZCS-MGURYUNNSA-N3-{[(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-one742.6369.23e+00 g/l-0.380.0Show Entry
Quercetin 7,4'-O-diglucoside PHUB000719626.148299534C27H30O17PolyphenolsFlavonoidsFlavonolsQZXHFNCQMMUANB-UINLEYECSA-N3,5-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-one626.51693.23e+00 g/l-0.810.0Show Entry
Quercitrin PHUB000720448.100561464C21H20O11PolyphenolsFlavonoidsFlavonolsQuercetin 3-O-rhamnoside; Quercetrin; QuercitinOXGUCUVFOIWWQJ-VTYNJFMCSA-N2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one448.381.79e+00 g/l1.310.0AppleShow Entry
Rhamnetin PHUB000721316.058302738C16H12O7PolyphenolsFlavonoidsFlavonols7-Methyl-quercetinJGUZGNYPMHHYRK-UHFFFAOYSA-Nrhamnetin316.26231.50e-01 g/l1.970.0Show Entry
Rutin PHUB000722610.153384886C27H30O16PolyphenolsFlavonoidsFlavonolsQuercetin 3-O-rhamnosyl-glucoside; Quercetin 3-O-rutinosideIKGXIBQEEMLURG-GGFYDIPBSA-N2-(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-one610.5213.54e+00 g/l0.150.0ApricotShow Entry
Spinacetin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside PHUB000723978.26411711C44H50O25PolyphenolsFlavonoidsFlavonolsOWEXXLIDPNHERV-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-enoate978.8591.22e+00 g/l1.070.0Show Entry
Spinacetin 3-O-(2''-p-coumaroylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside PHUB000724948.253552426C43H48O24PolyphenolsFlavonoidsFlavonolsCRMQLXUPYMVANT-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-enoate948.8331.25e+00 g/l1.030.0Show Entry
Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside PHUB000725802.216773028C34H42O22PolyphenolsFlavonoidsFlavonolsNVYWCFHFPXGDKS-UHFFFAOYSA-N3-[(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-one802.68417.33e+00 g/l-0.670.0Show Entry
Spinacetin 3-O-glucosyl-(1->6)-glucoside PHUB000726670.174514284C29H34O18PolyphenolsFlavonoidsFlavonolsZZNVCZGRNCQHCQ-UHFFFAOYSA-N5,7-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-one670.56953.76e+00 g/l-0.310.0Show Entry
Spiraeoside PHUB000727464.095476104C21H20O12PolyphenolsFlavonoidsFlavonolsQuercetin 4'-O-glucosideOIUBYZLTFSLSBY-HMGRVEAOSA-Nspiraeoside464.37631.59e+00 g/l0.630.0Show Entry
Trifolin PHUB000728448.100561464C21H20O11PolyphenolsFlavonoidsFlavonolsKaempferol 3-O-galactosideJPUKWEQWGBDDQB-MDYSSOIXSA-N5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one448.381.58e+00 g/l0.520.0Show Entry
Quercetin 4'-O-glucoside PHUB000729464.095476104C21H20O12PolyphenolsFlavonoidsFlavonolsOIUBYZLTFSLSBY-HMGRVEAOSA-Nspiraeoside464.37631.59e+00 g/l0.630.0Isorhamnetin / Isorhamnetin 3-O-glucuronide / Quercetin 3-O-glucuronide / Quercetin 3'-O-glucuronide / Tamarixetin / Quercetin diglucuronide / Quercetin glucose glucuronide / Quercetin glucuronide sulfate / Quercetin 3'-sulfateShow Entry
Castalagin PHUB000730934.071230957C41H26O26PolyphenolsEllagitanninsNot AvailableUDYKDZHZAKSYCO-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-pentone934.6335.79e+00 g/l2.740.0Show Entry
Castalin PHUB000731632.064963804C27H20O18PolyphenolsEllagitanninsNot AvailablePPUHUWSVCUJGTD-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-trione632.4391.38e+01 g/l1.140.0Show Entry
Casuarictin PHUB000732936.086881068C41H28O26PolyphenolsEllagitanninsNot AvailableSWRFKGRMQVLMKA-UHFFFAOYSA-N7,8,9,12,13,14,28,29,30,33,34,35-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-trihydroxybenzoate936.64541.39e+00 g/l3.220.0Show Entry
Casuarinin PHUB000733936.086881022C41H28O26PolyphenolsEllagitanninsNot AvailableMMQXBTULXAEKQE-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-trihydroxybenzoate936.6492.18e+00 g/l2.890.0Show Entry
Geraniin PHUB000734952.081795642C41H28O27PolyphenolsEllagitanninsNot AvailableJQQBXPCJFAKSPG-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-trihydroxybenzoate952.6485.66e+00 g/l2.360.0Show Entry
Lambertianin A PHUB0007351870.158112072C82H54O52PolyphenolsEllagitanninsNot AvailableFFZOOOCGCNFHAQ-UHFFFAOYSA-N36-{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-trihydroxybenzoate1871.2753.21e+00 g/l4.030.0Show Entry
Lambertianin B PHUB0007361718.14715337C75H50O48PolyphenolsEllagitanninsNot AvailableMFFFFOUPJAFCQB-UHFFFAOYSA-N36-({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-trihydroxybenzoate1719.1776.62e+00 g/l3.800.0Show Entry
Lambertianin C PHUB0007372804.229342936C123H80O78PolyphenolsEllagitanninsNot AvailableKPIIQBZSYJKNLJ-UHFFFAOYSA-N36-{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-dihydroxybenzoate2805.9158.14e+00 g/l4.420.0Show Entry
Lambertianin D PHUB0007383738.30057408C164H106O104PolyphenolsEllagitanninsNot AvailableWZQCGDLPTFKQNG-UHFFFAOYSA-N36-[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-trihydroxybenzoate3740.5340.0Show Entry
Pedunculagin PHUB000739782.096657857C35H26O21PolyphenolsEllagitanninsNot AvailableWZXIBMBWCQROBO-UHFFFAOYSA-N7,8,9,12,13,14,28,29,30,33,34,35-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-tetrone782.5721.27e+00 g/l2.870.0Show Entry
Potentillin PHUB000740936.086881068C41H28O26PolyphenolsEllagitanninsNot AvailableSWRFKGRMQVLMKA-UHFFFAOYSA-N7,8,9,12,13,14,28,29,30,33,34,35-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-trihydroxybenzoate936.64541.39e+00 g/l3.220.0Show Entry
Punicalagin A PHUB0007411084.066539556C48H28O30PolyphenolsEllagitanninsNot AvailableZJVUMAFASBFUBG-UHFFFAOYSA-N6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-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-hexone1084.71792.06e+00 g/l3.240.0Show Entry
Punicalagin B PHUB0007421084.066539556C48H28O30PolyphenolsEllagitanninsNot AvailableZJVUMAFASBFUBG-UHFFFAOYSA-N6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-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-hexone1084.71792.06e+00 g/l3.240.0Show Entry
Punicalin A PHUB000743782.060272388C34H22O22PolyphenolsEllagitanninsNot AvailableIQHIEHIKNWLKFB-UHFFFAOYSA-N3,4,5,11,12,13,21,22,23,26,27,38,39-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-tetrone782.52534.32e+00 g/l2.090.0Show Entry
Punicalin B PHUB000744782.060272388C34H22O22PolyphenolsEllagitanninsNot AvailableIQHIEHIKNWLKFB-UHFFFAOYSA-N3,4,5,11,12,13,21,22,23,26,27,38,39-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-tetrone782.52534.32e+00 g/l2.090.0Show Entry
Punigluconin PHUB000745818.081401717C34H26O24PolyphenolsEllagitanninsNot AvailableFVFQELUCRYTKBG-UHFFFAOYSA-N3-[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 acid818.5581.62e+00 g/l2.600.0Show Entry
Sanguiin H-10 PHUB0007461568.151844904C68H48O44PolyphenolsEllagitanninsNot AvailableGMFLQAPBSLUKQB-UHFFFAOYSA-N3,4,5,11,12,21,22,23-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-dihydroxybenzoate1569.08232.37e+00 g/l3.700.0Show Entry
Sanguiin H-2 PHUB0007471104.092754306C48H32O31PolyphenolsEllagitanninsNot AvailableVQIUUNUVZNWSSC-UHFFFAOYSA-N3-{[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 acid1104.74911.34e+00 g/l3.630.0Show Entry
Sanguiin H-6 PHUB0007481870.158112072C82H54O52PolyphenolsEllagitanninsNot AvailableFFZOOOCGCNFHAQ-UHFFFAOYSA-N36-{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-trihydroxybenzoate1871.2753.21e+00 g/l4.030.0Show Entry
Vescalagin PHUB000749934.071230957C41H26O26PolyphenolsEllagitanninsNot AvailableUDYKDZHZAKSYCO-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-pentone934.6335.79e+00 g/l2.740.0Show Entry
Vescalin PHUB000750632.064963804C27H20O18PolyphenolsEllagitanninsNot AvailablePPUHUWSVCUJGTD-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-trione632.4391.38e+01 g/l1.140.0Show Entry
E-Ajoene PHUB000751234.020678593C9H14OS3Miscellaneous phytochemicalsThiosulfinatesNot AvailableIXELFRRANAOWSF-FNORWQNLSA-Najoene234.391.40e+00 g/l2.580.0GarlicShow Entry
Z-Ajoene PHUB000752234.02067714C9H14OS3Miscellaneous phytochemicalsThiosulfinatesNot AvailableIXELFRRANAOWSF-ALCCZGGFSA-N3-{[(1Z)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene234.4021.40e+00 g/l2.580.0GarlicShow Entry
Allicin PHUB000753162.017306322C6H10OS2Miscellaneous phytochemicalsThiosulfinatesNot AvailableDiallyl thiosulfinate; S-Oxodiallyl disulfideJDLKFOPOAOFWQN-UHFFFAOYSA-Nallicin162.2736.13e+00 g/l1.160.0Garden onion / GarlicShow Entry
Alliin PHUB000754177.045963913C6H11NO3SMiscellaneous phytochemicalsThiosulfinatesNot AvailableS-allylcysteine sulfoxideXUHLIQGRKRUKPH-ITZCMCNPSA-N3-(allylsulfinyl)alanin177.2213.85e+01 g/l-2.140.0GarlicShow Entry
Diallyl disulfide PHUB000755146.0223917C6H10S2Miscellaneous phytochemicalsThiosulfinatesNot AvailableAllyl disulfide; DADS; Diallyl disulphidePFRGXCVKLLPLIP-UHFFFAOYSA-Ngarlicin146.2741.05e-01 g/l2.740.0Garden onion / GarlicShow Entry
Diallyl sulfide PHUB000756114.05032101C6H10SMiscellaneous phytochemicalsThiosulfinatesNot AvailableAllyl sulfide; DAS; Diallyl monosulphide; Thioallyl etherUBJVUCKUDDKUJF-UHFFFAOYSA-Noil garlic114.2092.64e-01 g/l2.120.0GarlicShow Entry
Diallyl trisulfide PHUB000757177.99446239C6H10S3Miscellaneous phytochemicalsThiosulfinatesNot AvailableDATS; Diallyl trisulphideUBAXRAHSPKWNCX-UHFFFAOYSA-Ndiallyl trisulfide178.3397.81e-02 g/l2.740.0Garden onion / GarlicShow Entry
Diallyl tetrasulfide PHUB000758209.96653308C6H10S4Miscellaneous phytochemicalsThiosulfinatesNot AvailableDATTS; Diallyl tetrasulphideRMKCQUWJDRTEHE-UHFFFAOYSA-Nbis(prop-2-en-1-yl)tetrasulfane210.4046.61e-02 g/l2.600.0Garden onion / GarlicShow Entry
Dimethyl trisulfide PHUB000759125.963162262C2H6S3Miscellaneous phytochemicalsThiosulfinatesNot Available2,3,4-Trithiapentane; Methyl trisulfideYWHLKYXPLRWGSE-UHFFFAOYSA-Ndimethyl trisulfide126.2642.20e+00 g/l1.260.0Garden onion / GarlicShow Entry
Dipropyl disulfide PHUB000760150.053691828C6H14S2Miscellaneous phytochemicalsThiosulfinatesNot AvailablePropyl disulfideALVPFGSHPUPROW-UHFFFAOYSA-Npropyl disulfide150.3051.45e-01 g/l3.570.0Garden onion / GarlicShow Entry
Methyl allyl disulfide PHUB000761120.006741636C4H8S2Miscellaneous phytochemicalsThiosulfinatesNot AvailableXNZOTQPMYMCTBZ-UHFFFAOYSA-Nallyl methyl disulfide120.2366.62e-01 g/l1.820.0Garden onionShow Entry
Propane-1-thiol PHUB00076276.034670946C3H8SMiscellaneous phytochemicalsThiosulfinatesNot Available1-Mercaptopropane; Propyl mercaptanSUVIGLJNEAMWEG-UHFFFAOYSA-Npropanethiol76.1614.99e+00 g/l1.720.0Common bean / Common pea / Garden onion / Leek / PotatoShow Entry
Propane-2-thiol PHUB00076376.034670946C3H8SMiscellaneous phytochemicalsThiosulfinatesNot Available2-Mercaptopropane; Isopropyl mercaptanKJRCEJOSASVSRA-UHFFFAOYSA-N2-propanethiol76.1614.54e+00 g/l1.690.0PotatoShow Entry
Propanethial S-oxide PHUB00076490.013935504C3H6OSMiscellaneous phytochemicalsThiosulfinatesNot AvailableThiopropanal S-oxideBAZSXBOAXJLRNH-UHFFFAOYSA-Npropanethial, S-oxide90.1446.42e+01 g/l-0.150.0Garden onionShow Entry
Diethyl trisulfide PHUB000765153.99446239C4H10S3Miscellaneous phytochemicalsThiosulfinatesNot AvailableOPMRTBDRQRSNDN-UHFFFAOYSA-Ndiethyltrisulfane154.3174.64e-01 g/l2.450.0Garden onion / GarlicShow Entry
Diproyl trisulfide PHUB000766182.025762518C6H14S3Miscellaneous phytochemicalsThiosulfinatesNot AvailableGAZXPZNJTZIGBO-UHFFFAOYSA-Ntrisulfide, dipropyl182.371.55e-01 g/l3.370.0Garden onion / GarlicShow Entry
Dimethyl tetrasulfide PHUB000767157.935232952C2H6S4Miscellaneous phytochemicalsThiosulfinatesNot AvailableNPNIZCVKXVRCHF-UHFFFAOYSA-Ndimethyltetrasulfane158.3298.89e-01 g/l1.040.0Garden onion / GarlicShow Entry
Diethyl tetrasulfide PHUB000768213.997833208C6H14S4Miscellaneous phytochemicalsThiosulfinatesNot AvailableDipropyl tetrasulfideGJKGKILUTIBVOI-UHFFFAOYSA-Ndipropyltetrasulfane214.4351.06e-01 g/l3.350.0Garden onion / GarlicShow Entry
E-10 devinylajoene PHUB000769208.005028528C7H12OS3Miscellaneous phytochemicalsThiosulfinatesNot AvailableAHJWMSQZOWKKJQ-SNAWJCMRSA-N(1E)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene208.355.19e+00 g/l1.740.0GarlicShow Entry
Z-10 devinylajoene PHUB000770208.005028528C7H12OS3Miscellaneous phytochemicalsThiosulfinatesNot AvailableAHJWMSQZOWKKJQ-PLNGDYQASA-N(1Z)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene208.355.19e+00 g/l1.740.0GarlicShow Entry
Methyl allyl thiosulfinate PHUB000771136.001656258C4H8OS2Miscellaneous phytochemicalsThiosulfinatesNot AvailableBBZQGJLFMJHRSD-UHFFFAOYSA-N3-(methanesulfinylsulfanyl)prop-1-ene136.2362.40e+01 g/l0.500.0GarlicShow Entry
Isoalliin PHUB000772177.045964392C6H11NO3SMiscellaneous phytochemicalsThiosulfinatesNot AvailableOKYHUOHBRKWCQJ-NSCUHMNNSA-N2-amino-3-[(1E)-prop-1-ene-1-sulfinyl]propanoic acid177.221.96e+01 g/l-1.820.0Garden onionShow Entry
Agmatine PHUB000773130.121846468C5H14N4N-containing compoundsAminesNot Available(4-Aminobutyl)guanidine; 1-Amino-4-guanidobutaneQYPPJABKJHAVHS-UHFFFAOYSA-Nagmatine130.19153.61e+00 g/l-1.010.0Lentils / Radish, JapaneseShow Entry
Cadaverine PHUB000774102.115698458C5H14N2N-containing compoundsAminesNot AvailableAnimal coniine; Pentamethylenediamine; Pentane-1,5-diamineVHRGRCVQAFMJIZ-UHFFFAOYSA-Ncadaverine102.17818.91e+01 g/l-0.270.0Lentils / Mung bean / Radish, JapaneseShow Entry
Dopamine PHUB000775153.078978601C8H11NO2N-containing compoundsAminesNot Available3-Hydroxytyramine; 3,4-Dihydroxyphenethylamine; 4-(2-Aminoethyl)benzene-1,2-diol; 4-(2-Aminoethyl)pyrocatecholVYFYYTLLBUKUHU-UHFFFAOYSA-Ndopamine153.17847.43e+00 g/l-0.400.0BananaShow Entry
Gramine PHUB000776174.115698458C11H14N2N-containing compoundsAminesNot Available3-(Dimethylaminomethyl)indole; Donaxine; DoramineOCDGBSUVYYVKQZ-UHFFFAOYSA-Ngramin174.24233.43e+00 g/l2.010.0Show Entry
Histamine PHUB000777111.079647303C5H9N3N-containing compoundsAminesNot Available4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; Beta-Aminoethylglyoxaline; ErgamineNTYJJOPFIAHURM-UHFFFAOYSA-Nhistamine111.14511.69e+02 g/l-0.690.0Sweet orangeShow Entry
Hordenine PHUB000778165.115364107C10H15NON-containing compoundsAminesNot Available4-(2-Dimethylamino)ethylphenol; N,N-DimethyltyramineKUBCEEMXQZUPDQ-UHFFFAOYSA-Nhordenine165.23222.97e+01 g/l1.760.0Show Entry
Noradrenaline (L-) PHUB000779169.073893223C8H11NO3N-containing compoundsAminesNot AvailableNorepinephrine (L-)SFLSHLFXELFNJZ-QMMMGPOBSA-Nnorepinephrine169.17781.25e+01 g/l-1.400.0BananaShow Entry
Phenethylamine PHUB000780121.089149357C8H11NN-containing compoundsAminesNot Available1-Amino-2-phenylethane; Aminoethylbenzene (beta-); Benzeneethanamine; PEABHHGXPLMPWCGHP-UHFFFAOYSA-N2-phenylethylamine121.17962.19e+00 g/l1.410.0Show Entry
Putrescine PHUB00078188.100048394C4H12N2N-containing compoundsAminesNot AvailableButane-1,4-diamine; TetramethylenediamineKIDHWZJUCRJVML-UHFFFAOYSA-Nputrescine88.15152.36e+02 g/l-0.980.0Endive / Grapefruit / Lentils / Lettuce / Mung bean / pak-choi / Soy bean / Sweet orangeShow Entry
Serotonine PHUB000782176.094963016C10H12N2ON-containing compoundsAminesNot Available5-HT; 5-HydroxytryptamineQZAYGJVTTNCVMB-UHFFFAOYSA-Nserotonin176.21512.50e+00 g/l0.560.0Banana / Grape / Peach / Pineapple5-Hydroxyindole acetic acidShow Entry
Skatole PHUB000783131.073499293C9H9NN-containing compoundsAminesNot Available3-Methyl-1H-indoleZFRKQXVRDFCRJG-UHFFFAOYSA-Nscatole131.17453.09e+00 g/l2.580.0Show Entry
Spermidine PHUB000784145.157897623C7H19N3N-containing compoundsAminesNot AvailableATHGHQPFGPMSJY-UHFFFAOYSA-Nspermidine145.24593.27e+01 g/l-0.620.0Broccoli / Cauliflower / Celeriac / Lentils / Mung bean / pak-choi / Radish, Japanese / Soy bean / Sweet orangeShow Entry
Spermine PHUB000785202.215746852C10H26N4N-containing compoundsAminesNot AvailableGerontine; Musculamine; NeuridinePFNFFQXMRSDOHW-UHFFFAOYSA-Nspermine202.34022.19e+00 g/l-0.660.0Lentils / Radish, JapaneseShow Entry
Trimethylamine PHUB00078659.073499293C3H9NN-containing compoundsAminesNot AvailableN,N-DimethylmethanamineGETQZCLCWQTVFV-UHFFFAOYSA-Ntrimethylamine59.11036.54e+02 g/l-0.140.0Show Entry
Tryptamine PHUB000787160.100048394C10H12N2N-containing compoundsAminesNot Available3-(2-Aminoethyl)indoleAPJYDQYYACXCRM-UHFFFAOYSA-Ntryptamine160.21571.34e+00 g/l1.210.0Show Entry
Tyramine PHUB000788137.084063979C8H11NON-containing compoundsAminesNot Available4-Hydroxyphenethylamine; TyrosamineDZGWFCGJZKJUFP-UHFFFAOYSA-Ntyramine137.1795.72e+00 g/l-0.140.0Show Entry
Caffeine PHUB000789194.080375584C8H10N4O2N-containing compoundsAlkaloidsPurine and pyrimidine alkaloids1,3,7-trimethylxanthine; 3-Methyltheobromine; Coffeine; Guaranine; Thein; TheineRYYVLZVUVIJVGH-UHFFFAOYSA-N58-08-2caffeine194.19061.10e+01 g/l-0.240.0Arabica coffee / Blackcurrant / Chocolate / Cocoa bean / Coffee / European plum / guarana / Lemon / mate / Sweet cherry / TeaShow Entry
Theobromine PHUB000790180.06472552C7H8N4O2N-containing compoundsAlkaloidsPurine and pyrimidine alkaloids3,7-DimethylxanthineYAPQBXQYLJRXSA-UHFFFAOYSA-N83-67-0theobromine180.1649.74e+00 g/l-0.460.0Arabica coffee / Cocoa bean / guarana / mate / TeaShow Entry
Theophylline PHUB000791180.06472552C7H8N4O2N-containing compoundsAlkaloidsPurine and pyrimidine alkaloids1,3-Dimethylxanthine; TheocinZFXYFBGIUFBOJW-UHFFFAOYSA-N58-55-9theophylline180.1642.29e+01 g/l-0.260.0Cocoa bean / guarana / TeaShow Entry
Vicine PHUB000792304.101898871C10H16N4O7N-containing compoundsAlkaloidsPurine and pyrimidine alkaloidsDivicine-beta-glucosideKGNGTSCIQCLKEH-SYCVNHKBSA-N152-93-22,6-diamino-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-pyrimidin-4-one304.2593.80e+01 g/l-2.310.0Broad bean / momordica charenciaShow Entry
Convicine PHUB000793305.085914471C10H15N3O8N-containing compoundsAlkaloidsPurine and pyrimidine alkaloidscovicineJJWYIMQKLTVAGZ-SYCVNHKBSA-N19286-37-46-amino-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3-dihydropyrimidine-2,4-dione305.24145.10e+01 g/l-2.000.0Broad beanShow Entry
Zeatin (trans-) PHUB000794219.112010063C10H13N5ON-containing compoundsAlkaloidsPurine and pyrimidine alkaloidsUZKQTCBAMSWPJD-FARCUNLSSA-Nzeatin219.24312.75e-01 g/l0.460.0Show Entry
Dihydrozeatin PHUB000795221.127660127C10H15N5ON-containing compoundsAlkaloidsPurine and pyrimidine alkaloidsXXFACTAYGKKOQB-SSDOTTSWSA-N(2R)-2-methyl-4-(3H-purin-6-ylamino)butan-1-ol221.2594.55e-01 g/l-0.360.0Show Entry
4-Hydroxyglucobrassicin PHUB000796463.048660748C16H19N2O10S2N-containing compoundsGlucosinolatesNot AvailableCSMYCLLHRFFFLG-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 sulfate463.454.05e+00 g/l-0.160.0Show Entry
4-Methoxyglucobrassicin PHUB000797477.064310812C17H21N2O10S2N-containing compoundsGlucosinolatesNot AvailableIIAGSABLXRZUSE-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 sulfate477.482.14e+00 g/l-0.090.0Show Entry
Glucoalyssin PHUB000798450.056783079C13H24NO10S3N-containing compoundsGlucosinolatesNot Available5-(Methylsulfinyl)pentylglucosinolateHUCGRJSHMZWRQQ-GCBKASSNSA-M(3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-6-methanesulfinyl-1-[(sulfonatooxy)imino]hexyl]sulfanyl}oxane-3,4,5-triol450.511.62e+01 g/l-0.700.0Show Entry
Glucoberteroin PHUB000799434.061868459C13H24NO9S3N-containing compoundsGlucosinolatesNot Available5-(Methylthio)pentylglucosinolateMEFPHTVXBPLRLX-VKSHFHBOSA-M(E)-[6-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino sulfate434.513.06e+00 g/l-0.090.0Show Entry
Glucobrassicanapin PHUB000800386.058497156C12H20NO9S2N-containing compoundsGlucosinolatesNot Available4-PentenylglucosinolateXMJFVIGTHMOGNZ-PDUPTSSGSA-M(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino sulfate386.419.81e+00 g/l-0.520.0Show Entry
Glucobrassicin PHUB000801447.053746128C16H19N2O9S2N-containing compoundsGlucosinolatesNot AvailableIndol-3-ylmethylglucosinolateDNDNWOWHUWNBCK-OTPKYRHWSA-M(E)-[2-(1H-indol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate447.452.51e+00 g/l-0.150.0Show Entry
Glucocapparin PHUB000802332.011546963C8H14NO9S2N-containing compoundsGlucosinolatesNot AvailableMethylglucosinolateUBTOEGCOMHAXGV-KADDAKOPSA-M(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino sulfate332.326.03e+01 g/l-1.200.0Show Entry
Glucocheirolin PHUB000803438.02039757C11H20NO11S3N-containing compoundsGlucosinolatesNot Available3-(Methylsulfonyl)propylglucosinolateOFKKQTQFWWIRBD-JRIQBWFLSA-M(3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-4-methanesulfonyl-1-[(sulfonatooxy)imino]butyl]sulfanyl}oxane-3,4,5-triol438.461.16e+01 g/l-1.180.0Show Entry
Glucocochlearin PHUB000804374.058497156C11H20NO9S2N-containing compoundsGlucosinolatesNot Available(1S)-1-Methylpropylglucosinolate; GlucojiabutinTUSWQPFNQXCPGB-YKNISDCUSA-M(E)-[(2S)-2-methyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino sulfate374.41.85e+01 g/l-0.510.0Show Entry
Glucoerucin PHUB000805420.046218394C12H22NO9S3N-containing compoundsGlucosinolatesNot Available4-(Methylthio)butylglucosinolateGKUMMDFLKGFCKH-PDUPTSSGSA-M(E)-[5-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]amino sulfate420.495.50e+00 g/l-0.450.0Show Entry
Glucoerysolin PHUB000806452.036047634C12H22NO11S3N-containing compoundsGlucosinolatesNot Available4-(Methylsulfonyl)butylglucosinolateWJMGSLJQEIYHOF-PDUPTSSGSA-M(3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfonyl-1-[(sulfonatooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol452.488.95e+00 g/l-1.020.0Show Entry
Glucoiberin PHUB000807422.02548295C11H20NO10S3N-containing compoundsGlucosinolatesNot Available3-(Methylsulfinyl)propylglucosinolatePHYYADMVYQURSX-VKXZSDEGSA-M(3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-4-methanesulfinyl-1-[(sulfonatooxy)imino]butyl]sulfanyl}oxane-3,4,5-triol422.463.92e+01 g/l-1.180.0Show Entry
Glucoiberverin PHUB000808406.03056833C11H20NO9S3N-containing compoundsGlucosinolatesNot Available3-(Methylthio)propylglucosinolateZCZCVJVUJGULMO-JRIQBWFLSA-M(E)-[4-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino sulfate406.469.83e+00 g/l-0.670.0Show Entry
Glucolepidiin PHUB000809346.027197027C9H16NO9S2N-containing compoundsGlucosinolatesNot AvailableEthylglucosinolateZPFWVYNZDHOONR-LDMAVRNSSA-M(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino sulfate346.354.05e+01 g/l-0.960.0Show Entry
Gluconapin PHUB000810372.042847092C11H18NO9S2N-containing compoundsGlucosinolatesNot AvailableBut-3-enylglucosinolatePLYQBXHVYUJNQB-JRIQBWFLSA-M(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene)amino sulfate372.381.56e+01 g/l-0.760.0Show Entry
Gluconapoleiferin PHUB000811402.053411776C12H20NO10S2N-containing compoundsGlucosinolatesNot Available2-Hydroxypent-4-enylglucosinolateZEGLQSKFSKZGRO-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-triol402.412.45e+01 g/l-1.080.0Show Entry
Gluconasturtiin PHUB000812422.058497156C15H20NO9S2N-containing compoundsGlucosinolatesNot Available2-PhenylethylglucosinolateCKIJIGYDFNXSET-ZANVAWHUSA-M(E)-(3-phenyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino sulfate422.444.61e+00 g/l-0.010.0Show Entry
Glucoputranjivin PHUB000813360.042847092C10H18NO9S2N-containing compoundsGlucosinolatesNot AvailableIsopropylglucosinolateWGIQZGDVCQDPTG-DTDAJARQSA-M(E)-(2-methyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino sulfate360.372.65e+01 g/l-0.830.0Show Entry
Glucoraphanin PHUB000814436.041133014C12H22NO10S3N-containing compoundsGlucosinolatesNot Available4-(Methylsulfinyl)butylglucosinolateGMMLNKINDDUDCF-HTTMVCNMSA-M(3S,4S,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfinyl-1-[(sulfonatooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol436.492.47e+01 g/l-0.980.0Show Entry
Glucoraphenin PHUB000815434.02548295C12H20NO10S3N-containing compoundsGlucosinolatesNot Available4-(Methylsulfinyl)but-3-enylglucosinolateZFLXCZJBYSPSKU-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-triol434.472.21e+01 g/l-0.890.0Show Entry
Glucotropaeolin PHUB000816408.042847092C14H18NO9S2N-containing compoundsGlucosinolatesNot AvailableBenzylglucosinolateQQGLQYQXUKHWPX-PUZZJGJESA-M(E)-(2-phenyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino sulfate408.426.49e+00 g/l-0.270.0Show Entry
Neoglucobrassicin PHUB000817477.064310812C17H21N2O10S2N-containing compoundsGlucosinolatesNot Available1-Methoxy-3-indolylmethylglucosinolatePKKMITFKYRCCOL-ABORFPJUSA-M(E)-[2-(1-methoxyindol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate477.482.85e+00 g/l0.260.0Show Entry
Progoitrin PHUB000818388.037761712C11H18NO10S2N-containing compoundsGlucosinolatesNot AvailableMYHSVHWQEVDFQT-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-triol388.383.32e+01 g/l-1.280.0Show Entry
Sinalbin PHUB000819424.037761712C14H18NO10S2N-containing compoundsGlucosinolatesNot AvailableGlucosinalbin; p-HydroxybenzylglucosinolateWWBNBPSEKLOHJU-PUZZJGJESA-M(E)-[2-(4-hydroxyphenyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate424.428.90e+00 g/l-0.390.0Show Entry
Sinigrin PHUB000820358.027197027C10H16NO9S2N-containing compoundsGlucosinolatesNot AvailableAllylglucosinolate; Prop-2-enylglucosinolatePHZOWSSBXJXFOR-IUSWXCLFSA-M(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino sulfate358.362.46e+01 g/l-0.880.0Show Entry
Sulforaphane PHUB000821177.028205359C6H11NOS2N-containing compoundsIsothiocyanatesNot Available4-Methylsulfinyl butyl isothiocyanateSUVMJBTUFCVSAD-UHFFFAOYSA-Nsulforaphane177.2882.55e+00 g/l1.240.0Show Entry
Allyl isothiocyanate PHUB00082299.014269855C4H5NSN-containing compoundsIsothiocyanatesNot AvailableAITCZOJBYZNEUISWFT-UHFFFAOYSA-Nallyl isothiocyanate99.1543.21e-01 g/l1.900.0Show Entry
Benzyl isothiocyanate PHUB000823149.029919919C8H7NSN-containing compoundsIsothiocyanatesNot AvailableMDKCFLQDBWCQCV-UHFFFAOYSA-Nbenzyl isothiocyanate149.2135.66e-02 g/l3.220.0Show Entry
Phenethyl isothiocyanate PHUB000824163.045569983C9H9NSN-containing compoundsIsothiocyanatesNot AvailablePEITCIZJDOKYDEWTZSO-UHFFFAOYSA-Nphenethyl isothiocyanate163.2392.77e-02 g/l3.410.0Show Entry
Albine PHUB000825232.157563272C14H20N2ON-containing compoundsAlkaloidsMiscellaneous alkaloidsDehydroalbineQJVOZXGJOGJKPT-FMKGYKFTSA-N53915-26-7(1R,2R,9R,12R)-12-(prop-2-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one232.3272.74e+00 g/l0.390.0lupin whiteShow Entry
Calystegin A3 PHUB000826159.089543283C7H13NO3N-containing compoundsAlkaloidsMiscellaneous alkaloidsXOCBOVUINUHZJA-RKXXOXFUSA-Ncalystegine A3159.1856.60e+02 g/l-1.190.0Show Entry
Calystegin B2 PHUB000827175.084457909C7H13NO4N-containing compoundsAlkaloidsMiscellaneous alkaloidsFXFBVZOJVHCEDO-NSULPUJOSA-N(1R,2R,3R,4S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol175.18247.33e+02 g/l-1.810.0Show Entry
Gentianine PHUB000828175.063328537C10H9NO2N-containing compoundsAlkaloidsMiscellaneous alkaloidsDFNZYFAJQPLJFI-UHFFFAOYSA-Ngentianine175.1841.94e+01 g/l1.010.0Show Entry
Harman PHUB000829182.08439833C12H10N2N-containing compoundsAlkaloidsMiscellaneous alkaloids1-Methyl-beta-carboline; Aribine; Loturine; PassiflorinePSFDQSOCUJVVGF-UHFFFAOYSA-Nharmane182.22129.67e-02 g/l3.360.0Show Entry
Harmine PHUB000830212.094963016C13H12N2ON-containing compoundsAlkaloidsMiscellaneous alkaloidsBanisterine; Leucoharmine; Telepathine; YageineBXNJHAXVSOCGBA-UHFFFAOYSA-Nharmine212.24726.13e-02 g/l3.050.0Show Entry
Hyoscyamine PHUB000831289.167793607C17H23NO3N-containing compoundsAlkaloidsMiscellaneous alkaloidsDaturine; DuboisineRKUNBYITZUJHSG-LGGPCSOHSA-Nlevbid289.36942.52e+00 g/l2.190.0Show Entry
Perlolyrine PHUB000832264.089877638C16H12N2O2N-containing compoundsAlkaloidsMiscellaneous alkaloidsKFUCYPGCMLPUMT-UHFFFAOYSA-Nperlolyrine264.27878.92e-02 g/l2.660.0Show Entry
Physoperuvine PHUB000833141.115364107C8H15NON-containing compoundsAlkaloidsMiscellaneous alkaloids1-HydroxytropaneBKWVNPXVPQOROM-UHFFFAOYSA-Nphysoperuvine141.2143.81e+02 g/l0.680.0Show Entry
Salsolinol ((-)-) PHUB000834179.094628665C10H13NO2N-containing compoundsAlkaloidsMiscellaneous alkaloidsIBRKLUSXDYATLG-LURJTMIESA-Nsalsolinol179.21576.71e+00 g/l0.160.0BananaShow Entry
Scopolamine PHUB000835303.14705816C17H21NO4N-containing compoundsAlkaloidsMiscellaneous alkaloids6,7-Epoxytropine tropate; Hyoscine; Scopine tropateSTECJAGHUSJQJN-PMFPHFEJSA-N9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate303.3586.61e+00 g/l1.400.0Show Entry
Arecaidine PHUB000836141.078978601C7H11NO2N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsArecaineDNJFTXKSFAMXQF-UHFFFAOYSA-Narecaidine141.16775.10e+02 g/l-1.430.0Show Entry
Arecoline PHUB000837155.094628665C8H13NO2N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsHJJPJSXJAXAIPN-UHFFFAOYSA-Narecoline155.19434.46e+02 g/l0.550.0Show Entry
Carpaine PHUB000838478.377058098C28H50N2O4N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsAMSCMASJCYVAIF-QCVMBYIASA-Ncarpaine478.7188.18e-04 g/l4.480.0Show Entry
Cucurbitine PHUB000839130.07422757C5H10N2O2N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloids3-Amino-beta-prolineDWAKXSZUASEUHH-RXMQYKEDSA-N(+-)-cucurbitine130.1472.62e+02 g/l-3.190.0Show Entry
Fagomine PHUB000840147.089543283C6H13NO3N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloids3,4-Dihydroxy-2-piperidine-methanolYZNNBIPIQWYLDM-HSUXUTPPSA-Nfagomine147.1745.73e+02 g/l-1.550.0Show Entry
Guvacine PHUB000841127.063328537C6H9NO2N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsQTDZOWFRBNTPQR-UHFFFAOYSA-Nguvacine127.14123.08e+01 g/l-2.240.0Show Entry
Pelletierine ((-)-) PHUB000842141.115364107C8H15NON-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsIsopelletierineJEIZLWNUBXHADF-MRVPVSSYSA-N1-[(2R)-piperidin-2-yl]propan-2-one141.21081.90e+01 g/l0.680.0Show Entry
Piperine PHUB000843285.136493479C17H19NO3N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloids1-PiperinoylpiperidineMXXWOMGUGJBKIW-YPCIICBESA-Nbioperine285.33771.49e-01 g/l3.380.0Show Entry
Stachydrine PHUB000844143.094628665C7H13NO2N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsCadabine; Proline betaineCMUNUTVVOOHQPW-LURJTMIESA-Nstachydrine143.18366.66e-01 g/l-2.240.0Show Entry
Trichostachine PHUB000845271.120843415C16H17NO3N-containing compoundsAlkaloidsPyrrolidine and piperidine alkaloidsPiperyline; PyrroperineGQIJYUMTOUBHSH-IJIVKGSJSA-Ntrichostachine271.31114.35e-01 g/l3.010.0Show Entry
Chaconine (alpha-) PHUB000846851.503106049C45H73NO14N-containing compoundsAlkaloidsSteroid alkaloidsTYNQWWGVEGFKRU-AJDPQWBVSA-Nα-chaconine852.05942.90e-01 g/l1.870.0Show Entry
Dehydrotomatine PHUB0008471031.530108632C50H81NO21N-containing compoundsAlkaloidsSteroid alkaloidsTomatidenol 3-lycotetraosideBYMOGFTUZUEFHY-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-triol1032.1841.82e+00 g/l-0.090.0Show Entry
Demissidine PHUB000848399.350115073C27H45NON-containing compoundsAlkaloidsSteroid alkaloidsJALVTHFTYRPDMB-HRRTYWNUSA-Ndemissidine399.6632.21e-04 g/l5.020.0Show Entry
Demissine PHUB0008491017.550844077C50H83NO20N-containing compoundsAlkaloidsSteroid alkaloidsbeta-Demissidine glycosideKWRYHKRVKRBBBU-RDQTZTQHSA-Ndemissine1018.2011.63e+00 g/l0.240.0Show Entry
Solamargine PHUB000850867.498020671C45H73NO15N-containing compoundsAlkaloidsSteroid alkaloidsMBWUSSKCCUMJHO-ZGXDEBHDSA-Nsolamargine868.05881.98e-01 g/l1.520.0Show Entry
Solanidine PHUB000851397.334465003C27H43NON-containing compoundsAlkaloidsSteroid alkaloidsPurapuridine; Solamidine T; Solancarpidine; solanid-5-en-3beta-ol; SolatubineJVKYZPBMZPJNAJ-OQFNDJACSA-Nsolanidine397.63643.96e-04 g/l4.930.0Show Entry
Solanine (alpha-) PHUB000852867.498020671C45H73NO15N-containing compoundsAlkaloidsSteroid alkaloidsSolatunineZGVSETXHNHBTRK-WWELWOLRSA-N20562-02-1solanine868.05886.19e-01 g/l1.290.0Garden tomato / PotatoShow Entry
Solasodine PHUB000853413.329379629C27H43NO2N-containing compoundsAlkaloidsSteroid alkaloidsPurpapuridine; Solancarpidine; Solasodine-SKWVISVAMQJWJSZ-VKROHFNGSA-Nsolasodine413.6468.38e-04 g/l4.450.0Show Entry
Solasonine PHUB000854883.492935275C45H73NO16N-containing compoundsAlkaloidsSteroid alkaloidsPurapurine; Solanine-S; SolasodamineQCTMYNGDIBTNSK-XEAAVONHSA-Nsolasonine884.074.10e-01 g/l0.900.0Show Entry
Tomatidine PHUB000855415.345029693C27H45NO2N-containing compoundsAlkaloidsSteroid alkaloids5alpha-tomatidan-3beta-olXYNPYHXGMWJBLV-VXPJTDKGSA-Ntomatidine415.6621.89e-04 g/l4.720.0Tomatidine O-glucuronideShow Entry
Tomatine PHUB0008561033.545758723C50H83NO21N-containing compoundsAlkaloidsSteroid alkaloidsA''-Tomatidine; Lycopericin; Lycopersicin; Tomatine (alpha-)REJLGAUYTKNVJM-SGXCCWNXSA-N17406-45-0tomatin1034.18811.71e+00 g/l-0.140.0Garden tomatoShow Entry
6-Hydroxyluteolin PHUB000857302.042652674C15H10O7PolyphenolsFlavonoidsFlavones5,6,7,3',4'-PentahydroxyflavoneVYAKIUWQLHRZGK-UHFFFAOYSA-N6-hydroxyluteolin302.23571.90e-01 g/l2.360.0Show Entry
6-Hydroxyluteolin 7-O-rhamnoside PHUB000858448.100561482C21H20O11PolyphenolsFlavonoidsFlavonesWBSLGYBCKVSSQR-UHFFFAOYSA-N2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one448.37691.41e+00 g/l1.320.0Show Entry
7,3',4'-Trihydroxyflavone PHUB000859270.05282343C15H10O5PolyphenolsFlavonoidsFlavonesPVFGJHYLIHMCQD-UHFFFAOYSA-N2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one270.23691.04e-01 g/l3.070.0Show Entry
7,4'-Dihydroxyflavone PHUB000860254.057908808C15H10O4PolyphenolsFlavonoidsFlavonesLCAWNFIFMLXZPQ-UHFFFAOYSA-N7,4'-dihydroxyflavone254.23758.29e-02 g/l3.340.0Show Entry
Apigenin PHUB000861270.05282343C15H10O5PolyphenolsFlavonoidsFlavones5,7,4'-TrihydroxyflavoneKZNIFHPLKGYRTM-UHFFFAOYSA-Nchamomile270.23691.18e-01 g/l3.070.0Show Entry
Apigenin 7,4'-dimethyl ether PHUB000862298.084123558C17H14O5PolyphenolsFlavonoidsFlavonesLZERJKGWTQYMBB-UHFFFAOYSA-Napigenin 7,4'-dimethyl ether298.29013.16e-02 g/l3.560.0Show Entry
Apigenin 7-O-(6''-malonyl-apiosyl-glucoside) PHUB000863650.148299534C29H30O17PolyphenolsFlavonoidsFlavonesCWXBFJLEJGCTRB-PMUUMJNOSA-N3-{[(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 acid650.53838.60e-01 g/l0.600.0Show Entry
Apigenin 7-O-diglucuronide PHUB000864622.116999406C27H26O17PolyphenolsFlavonoidsFlavonesSJFTVAAHLRFBST-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 acid622.48512.94e+00 g/l0.860.0Show Entry
Apigenin 7-O-glucoside PHUB000865432.105646844C21H20O10PolyphenolsFlavonoidsFlavonesKMOUJOKENFFTPU-QNDFHXLGSA-Napigenin 7-o-β-glucoside432.3819.71e-01 g/l0.680.0Show Entry
Apigenin 7-O-glucuronide PHUB000866446.084911418C21H18O11PolyphenolsFlavonoidsFlavonesJBFOLLJCGUCDQP-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 acid446.3611.35e+00 g/l1.030.0Show Entry
Apiin PHUB000867564.147905582C26H28O14PolyphenolsFlavonoidsFlavonesApigenin 7-O-apiosyl-glucosideNTDLXWMIWOECHG-YRCFQSNFSA-Napiin564.4961.53e+00 g/l-0.170.0Show Entry
Baicalein PHUB000868270.05282343C15H10O5PolyphenolsFlavonoidsFlavones5,6,7-TrihydroxyflavoneFXNFHKRTJBSTCS-UHFFFAOYSA-Nbaicalein270.23691.53e-01 g/l3.190.0Show Entry
Carlinoside PHUB000869580.142820226C26H28O15PolyphenolsFlavonoidsFlavonesXBGYTZHKGMCEGE-VYUBKLCTSA-Ncarlinoside580.49158.23e+00 g/l-0.750.0Show Entry
Chrysin PHUB000870254.057908808C15H10O4PolyphenolsFlavonoidsFlavones5,7-DihydroxyflavoneRTIXKCRFFJGDFG-UHFFFAOYSA-Nchrysin254.23751.05e-01 g/l3.440.0Show Entry
Chrysoeriol PHUB000871300.063388116C16H12O6PolyphenolsFlavonoidsFlavonesLuteolin 3'-Methyl etherSCZVLDHREVKTSH-UHFFFAOYSA-Nchrysoeriol300.26296.84e-02 g/l3.070.0Show Entry
Chrysin 5,7-dimethyl ether PHUB000872282.089208936C17H14O4PolyphenolsFlavonoidsFlavonesJRFZSUMZAUHNSL-UHFFFAOYSA-N5,7-dimethoxyflavone282.29071.63e-02 g/l3.290.0Show Entry
Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) PHUB000873680.15886422C30H32O18PolyphenolsFlavonoidsFlavonesIGMXPYZQDLGVQE-NJCUNIDNSA-N3-{[(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 acid680.56438.27e-01 g/l0.670.0Show Entry
Chrysoeriol 7-O-(6''-malonyl-glucoside) PHUB000874548.116605476C25H24O14PolyphenolsFlavonoidsFlavonesPLQBKZOSLQNLOX-GOZZSVHWSA-N3-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 acid548.44973.54e-01 g/l1.280.0Show Entry
Chrysoeriol 7-O-apiosyl-glucoside PHUB000875594.15847029C27H30O15PolyphenolsFlavonoidsFlavonesGYQQQCVFOLKXGH-FSAPOUEDSA-N7-{[(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-one594.51811.23e+00 g/l0.020.0Show Entry
Chrysoeriol 7-O-glucoside PHUB000876462.116211546C22H22O11PolyphenolsFlavonoidsFlavonesGAMYVSCDDLXAQW-MIUGBVLSSA-N5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one462.40357.08e-01 g/l0.630.0Show Entry
Cirsilineol PHUB000877344.089602866C18H16O7PolyphenolsFlavonoidsFlavones5,4'-Dihydroxy-6,7,3'-trimethoxyflavoneKLAOKWJLUQKWIF-UHFFFAOYSA-Neupatorin344.31544.47e-02 g/l2.950.0Show Entry
Cirsiliol PHUB000878330.073952802C17H14O7PolyphenolsFlavonoidsFlavonesIMEYGBIXGJLUIS-UHFFFAOYSA-Ncirsiliol330.28896.15e-02 g/l3.050.0Show Entry
Cirsimaritin PHUB000879314.07903818C17H14O6PolyphenolsFlavonoidsFlavones5,4'-Dihydroxy-6,7-dimethoxyflavone; 6,7-Dimethylscutellarein; SkrofulleinZIIAJIWLQUVGHB-UHFFFAOYSA-Ncirsimaritin314.28954.18e-02 g/l3.210.0Show Entry
Diosmetin PHUB000880300.063388116C16H12O6PolyphenolsFlavonoidsFlavonesLuteolin 4'-methyl etherMBNGWHIJMBWFHU-UHFFFAOYSA-Ndiosmetin300.26297.54e-02 g/l3.060.0Show Entry
Diosmin PHUB000881608.174120354C28H32O15PolyphenolsFlavonoidsFlavonesDiosmetin 7-O-rutinosideGZSOSUNBTXMUFQ-YFAPSIMESA-Ndiosmin608.54471.54e+00 g/l0.080.0Show Entry
Eupatilin PHUB000882344.089602866C18H16O7PolyphenolsFlavonoidsFlavonesLuteolin 4'-methyl etherDRRWBCNQOKKKOL-UHFFFAOYSA-Neupatilin344.31544.22e-02 g/l2.890.0Show Entry
Eupatorin PHUB000883344.089602866C18H16O7PolyphenolsFlavonoidsFlavones5,3'-Dihydroxy-6,7,4'-trimethoxyflavoneKLAOKWJLUQKWIF-UHFFFAOYSA-Neupatorin344.31544.47e-02 g/l2.950.0Show Entry
Gardenin B PHUB000884358.10525293C19H18O7PolyphenolsFlavonoidsFlavones5-Hydroxy-6,7,8,4'-tetramethoxyflavoneLXEVSYZNYDZSOB-UHFFFAOYSA-Ngardenin B358.3422.30e-02 g/l3.070.0Show Entry
Geraldone PHUB000885284.068473494C16H12O5PolyphenolsFlavonoidsFlavones7,4'-Dihydroxy-3'-methoxyflavoneOUMMPAFEQHTYIZ-UHFFFAOYSA-Ngeraldone284.26355.38e-02 g/l3.370.0Show Entry
Hispidulin PHUB000886300.063388116C16H12O6PolyphenolsFlavonoidsFlavones5,7,4'-Trihydroxy-6-methoxyflavone; 6-Methoxyapigenin; 6-MethylscutellareinIHFBPDAQLQOCBX-UHFFFAOYSA-Nhispidulin300.26297.91e-02 g/l3.090.0Show Entry
Isoorientin PHUB000887448.100561482C21H20O11PolyphenolsFlavonoidsFlavonesHomoorientin; Luteolin 6-C-glucosideODBRNZZJSYPIDI-VJXVFPJBSA-Nisoorientin448.37692.04e+00 g/l0.390.0Show Entry
Isorhoifolin PHUB000888578.163555668C27H30O14PolyphenolsFlavonoidsFlavonesApigenin 7-O-rutinosideFKIYLTVJPDLUDL-WCDRIBADSA-N5-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-one578.51871.91e+00 g/l-0.000.0Show Entry
Isovitexin PHUB000889432.10564686C21H20O10PolyphenolsFlavonoidsFlavonesApigenin 6-C-glucosideMYXNWGACZJSMBT-VJXVFPJBSA-Nisovitexin432.37751.73e+00 g/l0.370.0Show Entry
Jaceosidin PHUB000890330.073952802C17H14O7PolyphenolsFlavonoidsFlavones5,7,4'-Trihydroxy-6,3'-dimethoxyflavoneGLAAQZFBFGEBPS-UHFFFAOYSA-Njaceosidin330.28896.28e-02 g/l3.050.0Show Entry
Lucenin-2 PHUB000891610.153384886C27H30O16PolyphenolsFlavonoidsFlavonesLuteolin 6,8-di-C-glucosideZLPSOQFIIQIIAX-VQVVXJKKSA-Nlucenin-2610.5211.14e+01 g/l-0.970.0Show Entry
Luteolin PHUB000892286.047738052C15H10O6PolyphenolsFlavonoidsFlavones5,7,3',4'-TetrahydroxyflavoneIQPNAANSBPBGFQ-UHFFFAOYSA-Nluteolin286.23631.38e-01 g/l2.730.0Show Entry
Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside PHUB000893666.143214156C29H30O18PolyphenolsFlavonoidsFlavonesLPOQROCPKZWCGK-CQRLEKJLSA-N3-{[(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 acid666.53771.04e+00 g/l0.510.0Show Entry
Luteolin 7-O-(2-apiosyl-glucoside) PHUB000894580.142820226C26H28O15PolyphenolsFlavonoidsFlavonesYSXNEFJASLJGTK-YRCFQSNFSA-N7-{[(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-one580.49151.77e+00 g/l-0.170.0Show Entry
Luteolin 7-O-diglucuronide PHUB000895638.111914028C27H26O18PolyphenolsFlavonoidsFlavonesSPWLSDULYCMRFB-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 acid638.48454.26e+00 g/l0.470.0Show Entry
Luteolin 7-O-glucoside PHUB000896448.100561482C21H20O11PolyphenolsFlavonoidsFlavonesCynarosidePEFNSGRTCBGNAN-QNDFHXLGSA-Nluteolin 7-O-glucoside448.37691.08e+00 g/l0.580.0Show Entry
Luteolin 7-O-glucuronide PHUB000897462.07982604C21H18O12PolyphenolsFlavonoidsFlavonesVSUOKLTVXQRUSG-ZFORQUDYSA-Nluteolin 7-O-glucuronide462.36041.38e+00 g/l1.220.0Show Entry
Luteolin 7-O-malonyl-glucoside PHUB000898534.100955412C24H22O14PolyphenolsFlavonoidsFlavonesRNDGJCZQVKFBPI-ASDZUOGYSA-N3-{[(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 acid534.42316.41e-01 g/l1.260.0Show Entry
Luteolin 7-O-rutinoside PHUB000899594.15847029C27H30O15PolyphenolsFlavonoidsFlavonesScolymosideMGYBYJXAXUBTQF-FOBVWLSUSA-N2-(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-one594.51812.07e+00 g/l0.010.0Show Entry
Nepetin PHUB000900316.058302738C16H12O7PolyphenolsFlavonoidsFlavones5,7,3',4'-Tetrahydroxy-6-methoxyflavone; 6-MethoxyluteolinFHHSEFRSDKWJKJ-UHFFFAOYSA-Nnepetin316.26231.17e-01 g/l2.750.0Show Entry
Nobiletin PHUB000901402.13146768C21H22O8PolyphenolsFlavonoidsFlavones5,6,7,8,3',4'-HexamethoxyflavoneMRIAQLRQZPPODS-UHFFFAOYSA-Nnobiletin402.39469.20e-03 g/l2.620.0Show Entry
Pebrellin PHUB000902374.100167552C19H18O8PolyphenolsFlavonoidsFlavones5,6-Dihydroxy-7,8,3',4'-tetramethoxyflavoneAREVFHPDZQHBHI-UHFFFAOYSA-Npebrellin374.34144.80e-02 g/l2.630.0Show Entry
Rhoifolin PHUB000903578.163555668C27H30O14PolyphenolsFlavonoidsFlavonesApigenin 7-O-neohesperidosideRPMNUQRUHXIGHK-PYXJVEIZSA-Nrhoifolin578.51872.55e+00 g/l-0.000.0Show Entry
Rhoifolin 4'-O-glucoside PHUB000904740.216379098C33H40O19PolyphenolsFlavonoidsFlavonesApigenin 7-O-neohesperidoside 4'-glucosidePTKZEWKSNFRXLZ-UHFFFAOYSA-N7-{[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-one740.65934.04e+00 g/l-0.570.0Show Entry
Scutellarein PHUB000905286.047738052C15H10O6PolyphenolsFlavonoidsFlavones5,6,7,4'-Tetrahydroxyflavone; 6-HydroxyapigeninJVXZRQGOGOXCEC-UHFFFAOYSA-Nscutellarein286.23631.56e-01 g/l2.740.0Show Entry
Sinensetin PHUB000906372.120902994C20H20O7PolyphenolsFlavonoidsFlavones5,6,7,3',4'-PentamethoxyflavoneLKMNXYDUQXAUCZ-UHFFFAOYSA-Nsinensetin372.36868.48e-03 g/l2.980.0Show Entry
Tangeretin PHUB000907372.120902994C20H20O7PolyphenolsFlavonoidsFlavones5,6,7,8,4'-PentamethoxyflavoneULSUXBXHSYSGDT-UHFFFAOYSA-Ntangeretin372.36869.30e-03 g/l2.880.0Show Entry
Tetramethylscutellarein PHUB000908342.110338308C19H18O6PolyphenolsFlavonoidsFlavones5,6,7,4'-TetramethoxyflavoneURSUMOWUGDXZHU-UHFFFAOYSA-N4',5,6,7-tetramethoxyflavone342.34261.05e-02 g/l3.170.0Show Entry
Thymonin PHUB000909360.084517475C18H16O8PolyphenolsFlavonoidsFlavonesQZBUZNZTCQCSJK-UHFFFAOYSA-N5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7,8-dimethoxychromen-4-one360.3188.20e-02 g/l2.710.0Show Entry
Tricin PHUB000910330.073952802C17H14O7PolyphenolsFlavonoidsFlavonesTricetin 3',5'-dimethyl etherHRGUSFBJBOKSML-UHFFFAOYSA-Ntricin330.28895.96e-02 g/l3.050.0Show Entry
Vicenin 2 PHUB000911594.15847029C27H30O15PolyphenolsFlavonoidsFlavonesApigenin 6,8-di-C-glucosideFIAAVMJLAGNUKW-VQVVXJKKSA-Nvicenin-2594.51819.88e+00 g/l-0.970.0Show Entry
Vitexin PHUB000912432.10564686C21H20O10PolyphenolsFlavonoidsFlavonesApigenin 8-C-glucosideSGEWCQFRYRRZDC-VPRICQMDSA-Nvitexin432.37751.73e+00 g/l0.360.0Show Entry
Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate) PHUB000913655.277480455C30H45N3O11STerpenoidsDiterpenoidsNot AvailableCWHSNVYWYFOEQJ-XOOUWMDMSA-N2-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 acid655.764.18e-01 g/l-3.080.0CafestolShow Entry
Cafestol (2-hydroxy-) PHUB000914332.198759382C20H28O4TerpenoidsDiterpenoidsNot AvailableXKTUWCSUXHKDDV-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-diol332.447.28e-02 g/l1.870.0CafestolShow Entry
Cafestol (2-hydroxy-,3,4-epoxide) PHUB000915348.193674002C20H28O5TerpenoidsDiterpenoidsNot AvailableHTBXMMAMMYSHPY-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-diol348.4393.31e-01 g/l0.590.0CafestolShow Entry
Cafestol glucuronide PHUB000916492.5678392C26H36O9TerpenoidsDiterpenoidsNot Available3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane492.2359350.0CafestolShow Entry
Cafestol sulfate PHUB000917396.5042844C20H28O6STerpenoidsDiterpenoidsNot Available396.1606620.0CafestolShow Entry
Kahweol glucuronide PHUB000918490.5518874C26H34O9TerpenoidsDiterpenoidsNot Available490.2202850.0KahweolShow Entry
Kahweol sulfate PHUB000919394.4883325C20H26O6STerpenoidsDiterpenoidsNot Available394.1450120.0KahweolShow Entry
Phytanic acid PHUB000920312.302830528C20H40O2TerpenoidsDiterpenoidsNot AvailablePhytanoic acidRLCKHJSFHOZMDR-PWCSWUJKSA-Nphytanic acid312.5388.17e-05 g/l7.280.0PhytolShow Entry
Phytenic acid (trans-delta 2-) PHUB000921310.287180464C20H38O2TerpenoidsDiterpenoidsNot AvailableWDWBNNBRPVEEOD-PFXVRADUSA-Nphytic acid310.5221.22e-04 g/l7.120.0PhytolShow Entry
Phytenic acid (cis-delta 2-) PHUB000922310.287180464C20H38O2TerpenoidsDiterpenoidsNot AvailableWDWBNNBRPVEEOD-UMSXXIAASA-N(2Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid310.5221.22e-04 g/l7.120.0PhytolShow Entry
Phytenic acid (trans-delta 3-) PHUB000923310.287180464C20H38O2TerpenoidsDiterpenoidsNot AvailableGGJDCSATCZWAPI-IWBCJCCCSA-N(3E,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid310.5221.18e-04 g/l7.180.0PhytolShow Entry
Phytenic acid (cis-delta 3-) PHUB000924310.287180464C20H38O2TerpenoidsDiterpenoidsNot AvailableGGJDCSATCZWAPI-UEJLOKKHSA-N(3Z,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid310.5221.18e-04 g/l7.180.0PhytolShow Entry
Phytenic acid (3-methylene) PHUB000925310.287180464C20H38O2TerpenoidsDiterpenoidsNot AvailableQNHDJVMLIZENIR-QZTJIDSGSA-N(7R,11R)-7,11,15-trimethyl-3-methylidenehexadecanoic acid310.5223.19e-04 g/l6.880.0PhytolShow Entry
Hydroxyphytanic acid (alpha-) PHUB000926328.297745148C20H40O3TerpenoidsDiterpenoidsNot AvailableCGKMKXBKVBXUGK-YYZRRKBYSA-N(7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid328.5377.90e-04 g/l6.310.0PhytolShow Entry
Pristanic acid PHUB000927298.287180464C19H38O2TerpenoidsDiterpenoidsNot AvailablePAHGJZDQXIOYTH-UHFFFAOYSA-Npristanic acid298.5111.36e-04 g/l6.900.0PhytolShow Entry
14-Hydroxycaryophyllene-5,6-oxide PHUB000928236.177630013C15H24O2TerpenoidsSesquiterpenoidsNot AvailableXLKXIWMHACWINL-ILDWOOSOSA-N[(1R,10S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-yl]methanol236.3559.23e-02 g/l2.300.0Caryophyllen-betaShow Entry
Caryophyllene-5,6-oxide-2,12-glycol PHUB000929254.188194697C15H26O3TerpenoidsSesquiterpenoidsNot AvailableOHDVDXBNIVPOOL-OIPGIEPVSA-N(1R,10S)-9-(hydroxymethyl)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-ol254.376.79e-01 g/l1.490.0Caryophyllen-betaShow Entry
Nootkatone-13,14-diol PHUB000930252.172544633C15H24O3TerpenoidsSesquiterpenoidsNot AvailableDJPISZPEZJGKKI-UHFFFAOYSA-N6-(1,2-dihydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one252.3545.49e-01 g/l1.580.0NootkatoneShow Entry
14-hydroxyisolongifoldaldehyde PHUB000931236.177630013C15H24O2TerpenoidsSesquiterpenoidsNot Available(2S, 7S)-14-hydroxyisolongifoldaldehydeLKZRUFUJHRFLEY-UHFFFAOYSA-N3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.0²,⁹]undecane-8-carbaldehyde236.3556.44e-02 g/l2.250.0LongifoleneShow Entry
3,7-Dimethyl-2,6-octadien-1,8-dioic acid PHUB000932198.089208931C10H14O4TerpenoidsSesquiterpenoidsNot AvailableIUBQEOXMIZDLSO-ZCOYIIAOSA-N(2E,6E)-2,6-dimethylocta-2,6-dienedioic acid198.2187.91e-01 g/l1.590.0FarnesolShow Entry
3,7-Dimethyl-2-octaen-1,8-dioic acid PHUB000933200.104858995C10H16O4TerpenoidsSesquiterpenoidsNot AvailableVNSKHKIHRLWODC-VOTSOKGWSA-N(2E)-3,7-dimethyloct-2-enedioic acid200.2341.24e+00 g/l1.590.0FarnesolShow Entry
3,7-Dimethyl-6-octaen-1,8-dioic acid PHUB000934200.104858995C10H16O4TerpenoidsSesquiterpenoidsNot AvailableKWIQWVWDQRSGSQ-VMPITWQZSA-N(2E)-2,6-dimethyloct-2-enedioic acid200.2349.81e-01 g/l1.680.0FarnesolShow Entry
3,7-Dimethyl-2,7-decadien-1,10-dioic acid PHUB000935226.12050906C12H18O4TerpenoidsSesquiterpenoidsNot AvailableKSRDBWKRNKJWQI-OAMUUVBCSA-N(2E,7E)-3,7-dimethyldeca-2,7-dienedioic acid226.2722.65e-01 g/l1.980.0FarnesolShow Entry
3,7-Dimethyl-octan-1,8-dioic acid PHUB000936202.12050906C10H18O4TerpenoidsSesquiterpenoidsNot AvailableYXTSFTNUPXGYDZ-UHFFFAOYSA-N2,6-dimethyloctanedioic acid202.251.50e+00 g/l1.690.0FarnesolShow Entry
3,7-Dimethyl-7-decaen-1,10-dioic acid PHUB000937228.136159124C12H20O4TerpenoidsSesquiterpenoidsNot AvailableFNRNRFWWJJZSTN-RMKNXTFCSA-N(3E)-4,8-dimethyldec-3-enedioic acid228.2884.44e-01 g/l2.150.0FarnesolShow Entry
Farnesol glucuronide PHUB000938398.230453435C21H34O7TerpenoidsSesquiterpenoidsNot AvailableFarnesyl glucuronideGNEHABOQLSVVFN-YFVJMOTDSA-N3,4,5-trihydroxy-6-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}oxane-2-carboxylic acid398.4962.86e-01 g/l2.650.0FarnesolShow Entry
12-Hydroxyfarnesol PHUB000939238.193280077C15H26O2TerpenoidsSesquiterpenoidsNot AvailableFLIKBVTXNBEPQQ-RDUMTQBOSA-N(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol238.3711.42e-01 g/l3.520.0FarnesolShow Entry
Hydroxyfarnesol glucuronide PHUB000940414.4973977C21H34O8TerpenoidsSesquiterpenoidsNot Available414.225370.0FarnesolShow Entry
Farnesoic acid PHUB000942236.177630013C15H24O2TerpenoidsSesquiterpenoidsNot AvailableWJHFZYAELPOJIV-UHFFFAOYSA-Nfarnesoic acid236.3554.12e-02 g/l4.680.0FarnesolShow Entry
Farnesyl monophosphate PHUB000943302.164696347C15H27O4PTerpenoidsSesquiterpenoidsNot AvailableALEWCKXBHSDCCT-FBXUGWQNSA-N[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxyphosphonic acid302.3512.65e-02 g/l3.400.0FarnesolShow Entry
Farnesyl pyrophosphate PHUB000944382.131027238C15H28O7P2TerpenoidsSesquiterpenoidsNot AvailableVWFJDQUYCIWHTN-YFVJMOTDSA-N[hydroxy([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy)phosphoryl]oxyphosphonic acid382.338.07e-02 g/l2.400.0FarnesolShow Entry
Oleanolic acid (Hydroxyl-) PHUB000945472.7111727C30H48O4TerpenoidsTriterpenoidsMiscellaneous triterpenoids472.355260.0Oleanolic acidShow Entry
Oleanolic acid (Dihydroxyl-) PHUB000946488.7104778C30H48O5TerpenoidsTriterpenoidsMiscellaneous triterpenoids488.3501750.0Oleanolic acidShow Entry
Glycyrrhetinic acid 3-O-glucuronide PHUB000948646.371697939C36H54O10TerpenoidsTriterpenoidsSaponins3beta-monoglucuronyl-18beta-glycyrrhetinic acidHLDYLAJAWSKPFZ-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 acid646.8181.06e-02 g/l3.970.0GlycyrrhizinShow Entry
Glycyrrhetinic acid 30-O-glucuronide PHUB000949646.371697939C36H54O10TerpenoidsTriterpenoidsSaponinsPCQOITPWNKCXLU-TYBNYSPSSA-N6-[(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 acid646.8181.06e-02 g/l3.730.0GlycyrrhizinShow Entry
Glycyrrhetinic acid 3-O-sulfate PHUB000950550.296424995C30H46O7STerpenoidsTriterpenoidsSaponinsIKLVARHEXXESBF-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 acid550.754.51e-04 g/l2.470.0GlycyrrhizinShow Entry
Glycyrrhetinic acid 3-O-sulfate-30-glucuronide PHUB000951726.328512973C36H54O13STerpenoidsTriterpenoidsSaponinsPDPCLPSFPOLUFQ-TYBNYSPSSA-N6-[(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 acid726.883.53e-02 g/l2.140.0GlycyrrhizinShow Entry
Ginsenoside Rh1 PHUB000953638.439383576C36H62O9TerpenoidsTriterpenoidsSaponinsRAQNTCRNSXYLAH-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-triol638.8837.43e-02 g/l2.680.0Ginsenoside ReShow Entry
Ginsenoside Rg2 PHUB000954784.497292378C42H72O13TerpenoidsTriterpenoidsSaponinsQOVKKEKBURQILF-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-triol785.0251.75e-01 g/l1.690.0Ginsenoside ReShow Entry
Ginsenoside F1 PHUB000955638.439383576C36H62O9TerpenoidsTriterpenoidsSaponinsQLPKLNOLHUEWSE-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-triol638.8836.95e-02 g/l2.540.0Ginsenoside ReShow Entry
Protopanaxatriol PHUB000956476.386560154C30H52O4TerpenoidsTriterpenoidsSaponinsSHCBCKBYTHZQGZ-DLHMIPLTSA-Nprotopanaxatriol476.7421.57e-02 g/l4.210.0Ginsenoside ReShow Entry
Camphene metabolite 1 PHUB000957170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableAVCGLLALGWYORY-SFVIPPHHSA-N(2R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol170.2521.35e+01 g/l1.580.0CampheneShow Entry
Camphene metabolite 2 PHUB000958170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableAVCGLLALGWYORY-KTOWXAHTSA-N(2S)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol170.2521.35e+01 g/l1.580.0CampheneShow Entry
6-Hydroxycamphene PHUB000959152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableCFXJOMGPUADAJE-UHFFFAOYSA-N5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptan-2-ol152.2372.48e+00 g/l2.260.0CampheneShow Entry
7-Hydroxycamphene PHUB000960152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableKWDIOXFYRVLXFK-UHFFFAOYSA-N2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol152.2372.70e+00 g/l2.320.0CampheneShow Entry
3-Hydroxytricyclene PHUB000961152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableCZKOAPQGASVMAO-UHFFFAOYSA-N1,5,5-trimethyltricyclo[2.2.1.0²,⁶]heptan-3-ol152.2372.49e+00 g/l1.680.0CampheneShow Entry
10-hydroxytricyclene PHUB000962152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableVUYGLHIDKHEDOF-UHFFFAOYSA-N{3,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-1-yl}methanol152.2377.79e-01 g/l2.160.0CampheneShow Entry
Carane 9,10-dicarboxylic acid PHUB000963198.089208931C10H14O4TerpenoidsMonoterpenoidsNot AvailableBJPLLVVMZQZECT-WNFCRHOISA-N(7R)-7-methylbicyclo[4.1.0]heptane-3,7-dicarboxylic acid198.2181.02e+01 g/l1.220.0CaraneShow Entry
m-mentha-4,6-dien-8-ol PHUB000964152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableRVGIOKDRILNWNO-UHFFFAOYSA-N2-(3-methylcyclohexa-1,3-dien-1-yl)propan-2-ol152.2372.65e+00 g/l2.620.0CareneShow Entry
Cymen-8-ol (m-) PHUB000965150.104465071C10H14OTerpenoidsMonoterpenoidsNot AvailableNARIBLVZTLPQJB-UHFFFAOYSA-N2-(3-methylphenyl)propan-2-ol150.2211.32e+00 g/l2.520.0CareneShow Entry
3-Carene-9-ol PHUB000966152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableYPFHKSCCUJXMAG-ZDGBYWQASA-N[(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-en-7-yl]methanol152.2371.97e+00 g/l1.900.0CareneShow Entry
3-Carene-9-carboxylic acid PHUB000967166.099379691C10H14O2TerpenoidsMonoterpenoidsNot AvailableIWWQJAJFNWJUSK-HHCGNCNQSA-N(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid166.224.51e+00 g/l2.300.0CareneShow Entry
3-carene-9,10-dicarboxylic acid PHUB000968196.073558866C10H12O4TerpenoidsMonoterpenoidsNot AvailableXADPDVMQMMJJHT-RQJHMYQMSA-N(1S,6R)-3-methylbicyclo[4.1.0]hept-3-ene-7,7-dicarboxylic acid196.2022.17e+01 g/l1.200.0CareneShow Entry
3-caren-10-ol-9-carboxylic acid PHUB000969182.094294311C10H14O3TerpenoidsMonoterpenoidsNot AvailableGOWUAPWJOOLHSA-HHCGNCNQSA-N(1S,6R)-7-(hydroxymethyl)-3-methylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid182.2197.44e+00 g/l0.870.0CareneShow Entry
Carveol PHUB000970152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableBAVONGHXFVOKBV-UHFFFAOYSA-Ncarveol152.2372.82e+00 g/l2.410.0CarvoneShow Entry
Carveol glucuronide PHUB000971328.152203113C16H24O7TerpenoidsMonoterpenoidsNot AvailableBVXOWZPSSZQRID-UHFFFAOYSA-N3,4,5-trihydroxy-6-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]oxy}oxane-2-carboxylic acid328.3611.70e+01 g/l0.310.0CarvoneShow Entry
Dihydrocarveol PHUB000972154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableKRCZYMFUWVJCLI-UHFFFAOYSA-Ndihydrocarveol154.2531.32e+00 g/l2.700.0CarvoneShow Entry
Carvonic acid PHUB000973180.078644246C10H12O3TerpenoidsMonoterpenoidsNot AvailableBPJKNHQCPHBIAR-UHFFFAOYSA-Ncarvonic acid180.2035.73e+00 g/l1.530.0CarvoneShow Entry
Dihydrocarvonic acid PHUB000974182.094294311C10H14O3TerpenoidsMonoterpenoidsNot AvailableWBPNIFAWLPCWGX-UHFFFAOYSA-N2-(4-methyl-5-oxocyclohex-3-en-1-yl)propanoic acid182.2197.82e+00 g/l1.530.0CarvoneShow Entry
Uroterpenolone PHUB000975184.109944375C10H16O3TerpenoidsMonoterpenoidsNot AvailableAOKPDATZUBLDMG-UHFFFAOYSA-N5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one184.2351.97e+01 g/l0.340.0CarvoneShow Entry
Cuminaldehyde metabolite 1 PHUB000976164.083729626C10H12O2TerpenoidsMonoterpenoidsNot AvailableCKMXAIVXVKGGFM-UHFFFAOYSA-N4-isopropylbenzoic acid164.2042.77e-01 g/l2.860.0CuminaldehydeShow Entry
Cuminaldehyde metabolite 2 PHUB000977180.078644246C10H12O3TerpenoidsMonoterpenoidsNot AvailableSLFZJKUFAVHARP-UHFFFAOYSA-N4-(2-hydroxypropan-2-yl)benzoic acid180.2031.54e+00 g/l1.710.0CuminaldehydeShow Entry
Cuminaldehyde metabolite 3 PHUB000978180.078644246C10H12O3TerpenoidsMonoterpenoidsNot AvailableBCXGOEMKNZQHEG-UHFFFAOYSA-N4-(1-hydroxypropan-2-yl)benzoic acid180.2031.17e+00 g/l1.600.0CuminaldehydeShow Entry
Cuminaldehyde metabolite 4 PHUB000979194.057908802C10H10O4TerpenoidsMonoterpenoidsNot AvailableZHJJCJKDNFTHKD-UHFFFAOYSA-N4-(1-carboxyethyl)benzoic acid194.1869.10e-01 g/l1.690.0CuminaldehydeShow Entry
Cuminaldehyde metabolite 5 PHUB000980150.104465071C10H14OTerpenoidsMonoterpenoidsNot AvailableOIGWAXDAPKFNCQ-UHFFFAOYSA-Ncuminol150.2216.51e-01 g/l2.630.0CuminaldehydeShow Entry
Cymen-9-ol (p-) PHUB000981150.104465071C10H14OTerpenoidsMonoterpenoidsNot AvailableCLFDIFDNDWRHJF-UHFFFAOYSA-N2-(4-methylphenyl)propan-1-ol150.2217.82e-01 g/l2.510.0Cymene-pShow Entry
Tolylpropionic acid (alpha-,p-) PHUB000982164.083729626C10H12O2TerpenoidsMonoterpenoidsNot AvailableKDYOFXPLHVSIHS-UHFFFAOYSA-N2-(4-methylphenyl)propanoic acid164.2048.50e-01 g/l2.460.0Cymene-pShow Entry
Cymen-8-ol (p-) PHUB000983150.104465071C10H14OTerpenoidsMonoterpenoidsNot AvailableXLPDVYGDNRIQFV-UHFFFAOYSA-Nterpineol150.2211.22e+00 g/l2.530.0Cymene-pShow Entry
Tolyl-alpha-hydroxylpropionic acid (alpha-) PHUB000984180.078644246C10H12O3TerpenoidsMonoterpenoidsNot AvailableLXGWCXBGZLLXHZ-UHFFFAOYSA-N2-hydroxy-2-(4-methylphenyl)propanoic acid180.2038.01e+00 g/l1.260.0Cymene-pShow Entry
Tolylacrylic acid (alpha-) PHUB000985162.068079562C10H10O2TerpenoidsMonoterpenoidsNot AvailableSPMMMKHRSINRIN-UHFFFAOYSA-N2-(4-methylphenyl)prop-2-enoic acid162.1886.32e-01 g/l2.660.0Cymene-pShow Entry
Isopropylbenzoic acid (p-) PHUB000986164.083729626C10H12O2TerpenoidsMonoterpenoidsNot AvailableCKMXAIVXVKGGFM-UHFFFAOYSA-N4-isopropylbenzoic acid164.2042.77e-01 g/l2.860.0Cymene-pShow Entry
1-Hydroxyisopropylbenzoic acid (p-) PHUB000987180.078644246C10H12O3TerpenoidsMonoterpenoidsNot AvailableSLFZJKUFAVHARP-UHFFFAOYSA-N4-(2-hydroxypropan-2-yl)benzoic acid180.2031.54e+00 g/l1.710.0Cymene-pShow Entry
Carveol (trans-) PHUB000989152.120115135C10H16OTerpenoidsMonoterpenoidsNot Availablep-Mentha-1,8-dien-6-olBAVONGHXFVOKBV-UHFFFAOYSA-Ncarveol152.2372.82e+00 g/l2.410.0LimoneneShow Entry
Limonene-1,2-diol PHUB000990170.13067982C10H18O2TerpenoidsMonoterpenoidsNot Available(1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diolWKZWTZTZWGWEGE-UTLUCORTSA-N(1S,2S,4R)-limonene-1,2-diol170.2521.46e+01 g/l1.110.0LimoneneShow Entry
Limonene-8,9-diol PHUB000991170.13067982C10H18O2TerpenoidsMonoterpenoidsNot Available2-(4-methylcyclohex-3-en-1-yl)prop-1-ene-1,3-diol; UroterpenolZJALAEQNHJQSTN-UHFFFAOYSA-N2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol170.2521.68e+01 g/l1.540.0Limonene / MyrceneShow Entry
Limonene-8,9-diol glucuronide PHUB000992346.162767797C16H26O8TerpenoidsMonoterpenoidsNot AvailableQLUXQCRCCGIUTP-UHFFFAOYSA-N3,4,5-trihydroxy-6-[2-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propoxy]oxane-2-carboxylic acid346.3761.53e+01 g/l-0.400.0LimoneneShow Entry
Limonene-10-ol PHUB000993152.120115135C10H16OTerpenoidsMonoterpenoidsNot Available2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-olUIMAEYMKYMNCGW-UHFFFAOYSA-N2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol152.2371.87e+00 g/l2.550.0LimoneneShow Entry
Limonene-10-ol-glucuronide PHUB000994328.152203113C16H24O7TerpenoidsMonoterpenoidsNot AvailableUYTMBQNUNDXCOH-UHFFFAOYSA-N3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl]oxy}oxane-2-carboxylic acid328.3611.35e+01 g/l0.430.0LimoneneShow Entry
Perillic acid PHUB000996166.099379691C10H14O2TerpenoidsMonoterpenoidsNot Available4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acidCDSMSBUVCWHORP-UHFFFAOYSA-Nperillic acid166.221.63e+00 g/l2.470.0LimoneneShow Entry
Perillic acid glucuronide PHUB000997342.131467668C16H22O8TerpenoidsMonoterpenoidsNot AvailableFHTHLGGWYHOQOW-UHFFFAOYSA-N3,4,5-trihydroxy-6-[4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyloxy]oxane-2-carboxylic acid342.3441.63e+01 g/l0.050.0LimoneneShow Entry
Perillyl glycine PHUB000998223.120843411C12H17NO3TerpenoidsMonoterpenoidsNot AvailableBDECPMREPJQCEB-UHFFFAOYSA-N{[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]formamido}acetic acid223.2721.22e+00 g/l1.550.0LimoneneShow Entry
Perillic acid-8,9-diol PHUB000999200.104858995C10H16O4TerpenoidsMonoterpenoidsNot AvailableOEPVVGSSFNHCPB-UHFFFAOYSA-N4-(1,2-dihydroxypropan-2-yl)cyclohex-1-ene-1-carboxylic acid200.2341.78e+01 g/l0.610.0LimoneneShow Entry
Dihydroperillic acid (trans-) PHUB001000168.115029755C10H16O2TerpenoidsMonoterpenoidsNot AvailableXZOBEDLKVOHSSH-DTORHVGOSA-N(1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid168.2361.60e+00 g/l2.560.0LimoneneShow Entry
Dihydroperillic acid (cis-) PHUB001001168.115029755C10H16O2TerpenoidsMonoterpenoidsNot AvailableXZOBEDLKVOHSSH-KYZUINATSA-N(1r,4r)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid168.2361.60e+00 g/l2.560.0LimoneneShow Entry
Dihydroperillic acid glucuronide (trans-) PHUB001002344.147117733C16H24O8TerpenoidsMonoterpenoidsNot AvailableSOFCHPTZCVYNEZ-GBZOVYLJSA-N3,4,5-trihydroxy-6-[(1s,4s)-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-2-carboxylic acid344.361.82e+01 g/l0.000.0LimoneneShow Entry
Dihydroperillic acid glucuronide (cis-) PHUB001003344.147117733C16H24O8TerpenoidsMonoterpenoidsNot AvailableVHFLDVUTUUPFHN-OCSVBGQESA-N4,5,6-trihydroxy-2-[(1r,4r)-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-3-carboxylic acid344.361.81e+01 g/l0.010.0LimoneneShow Entry
p-mentha-1,8-dien-carboxylic-acid PHUB001004166.099379691C10H14O2TerpenoidsMonoterpenoidsNot AvailablePerillic acid isomerZUCQJOQBPVWZQK-UHFFFAOYSA-N2-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid166.221.55e+00 g/l2.590.0LimoneneShow Entry
Myrcene-3(10)-glycol PHUB001005170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableOFWOMCSHJWTBGF-UHFFFAOYSA-N2-ethenyl-6-methylhept-5-ene-1,2-diol170.2526.41e+00 g/l1.420.0MyrceneShow Entry
Myrcene (3-Hydroxy, 10-carboxylic acid) PHUB001006184.109944375C10H16O3TerpenoidsMonoterpenoidsNot AvailableLNVCRVBAADGZJE-UHFFFAOYSA-N2-ethenyl-2-hydroxy-6-methylhept-5-enoic acid184.2355.00e+00 g/l1.510.0MyrceneShow Entry
Myrcene-1,2-glycol PHUB001007170.13067982C10H18O2TerpenoidsMonoterpenoidsNot AvailableCSRABKKYPRURRM-UHFFFAOYSA-N7-methyl-3-methylideneoct-6-ene-1,2-diol170.2526.95e+00 g/l1.480.0MyrceneShow Entry
Myrcene (2-hydroxy, 1-carboxylic acid) PHUB001008184.109944375C10H16O3TerpenoidsMonoterpenoidsNot AvailableIMWIABNERYUMHO-UHFFFAOYSA-N2-hydroxy-7-methyl-3-methylideneoct-6-enoic acid184.2356.51e+00 g/l1.800.0MyrceneShow Entry
Menthane-3,7-diol (p-) PHUB001011172.146329884C10H20O2TerpenoidsMonoterpenoidsNot Available5-(hydroxymethyl)-2-(propan-2-yl)cyclohexan-1-olSYKFBYLBABZJJQ-UHFFFAOYSA-N5-(hydroxymethyl)-2-isopropylcyclohexan-1-ol172.2681.09e+01 g/l1.590.0MentholShow Entry
Menthane (3-Hydroxy-p-, 7-carboxylic acid) PHUB001012186.12559444C10H18O3TerpenoidsMonoterpenoidsNot Available2-[3-hydroxy-4-(propan-2-yl)cyclohexyl]acetic acidPSJWHBLMRRRGQW-UHFFFAOYSA-N3-hydroxy-4-isopropylcyclohexane-1-carboxylic acid186.2511.24e+01 g/l1.180.0MentholShow Entry
Methane (3,8-dihydroxy-7-carboxylic acid) PHUB001013202.12050906C10H18O4TerpenoidsMonoterpenoidsNot AvailableRIIGXCBSCSKGKB-UHFFFAOYSA-N3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid202.254.55e+01 g/l0.370.0MentholShow Entry
Menthane-3,7,8-triol (p-) PHUB001014188.2678032C10H20O3TerpenoidsMonoterpenoidsNot Available5-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)cyclohexan-1-ol188.1412450.0MentholShow Entry
Menthane-3,8-diol (p-) PHUB001015172.146329884C10H20O2TerpenoidsMonoterpenoidsNot Available2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-olLMXFTMYMHGYJEI-UHFFFAOYSA-Np-menthane-3,8-diol172.2681.06e+01 g/l1.880.0MentholShow Entry
Menthol glucuronide PHUB001016332.183503242C16H28O7TerpenoidsMonoterpenoidsNot AvailableCLJGMBYGTHRUNF-PJOPELHJSA-N3,4,5-trihydroxy-6-{[(2R)-2-isopropyl-5-methylcyclohexyl]oxy}oxane-2-carboxylic acid332.3931.12e+01 g/l1.000.0MentholShow Entry
Menthane (3,8-oxy-p-, 7-carboxylic acid) PHUB001017184.109944375C10H16O3TerpenoidsMonoterpenoidsNot AvailableJJEXPXIJOIGQOA-UHFFFAOYSA-N8,8-dimethyl-7-oxabicyclo[4.2.0]octane-4-carboxylic acid184.2354.64e+00 g/l1.810.0MentholShow Entry
Menthane (3,8-dihydroxy-p-, 7-carboxylic acid) PHUB001018202.12050906C10H18O4TerpenoidsMonoterpenoidsNot AvailableRIIGXCBSCSKGKB-UHFFFAOYSA-N3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid202.254.55e+01 g/l0.370.0MentholShow Entry
Menthane-3,9-diol (p-) PHUB001019172.146329884C10H20O2TerpenoidsMonoterpenoidsNot Available2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-olBINZTUGHCIRHLP-UHFFFAOYSA-N2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol172.2689.55e+00 g/l1.600.0MentholShow Entry
Menthane (3-hydroxy-p-, 9-carboxylic acid) PHUB001020200.141244504C11H20O3TerpenoidsMonoterpenoidsNot Available3-(2-hydroxy-4-methylcyclohexyl)butanoic acidRZDAUSHWMAGQJS-UHFFFAOYSA-N3-(2-hydroxy-4-methylcyclohexyl)butanoic acid200.2782.97e+00 g/l1.870.0MentholShow Entry
Menthane-3,8-diol glucuronide (p-) PHUB001021376.4046996C17H28O9TerpenoidsMonoterpenoidsNot Available376.1733350.0MentholShow Entry
Perillyl aldehyde metabolite 1 PHUB001022152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableNDTYTMIUWGWIMO-SNVBAGLBSA-N(-)-perillyl alcohol152.2371.90e+00 g/l2.500.0Perillyl aldehydeShow Entry
Perillyl aldehyde metabolite 2 PHUB001023154.1357652C10H18OTerpenoidsMonoterpenoidsNot AvailableGMYHXOPIKMGWOM-UHFFFAOYSA-N[4-(prop-1-en-2-yl)cyclohexyl]methanol154.2536.76e-01 g/l2.880.0Perillyl aldehydeShow Entry
Perillyl aldehyde metabolite 3 PHUB001024166.099379691C10H14O2TerpenoidsMonoterpenoidsNot AvailableCDSMSBUVCWHORP-UHFFFAOYSA-Nperillic acid166.221.63e+00 g/l2.470.0Perillyl aldehydeShow Entry
Perillyl aldehyde metabolite 4 PHUB001025164.083729626C10H12O2TerpenoidsMonoterpenoidsNot AvailableCKMXAIVXVKGGFM-UHFFFAOYSA-N4-isopropylbenzoic acid164.2042.77e-01 g/l2.860.0Perillyl aldehydeShow Entry
Verbenol (trans-) PHUB001026152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableWONIGEXYPVIKFS-UHFFFAOYSA-Nverbenol152.2373.51e+00 g/l2.070.0Pinene-alphaShow Entry
Myrtenol PHUB001027152.120115135C10H16OTerpenoidsMonoterpenoidsNot AvailableRXBQNMWIQKOSCS-UHFFFAOYSA-Nmyrtenol152.2371.67e+00 g/l2.710.0Pinene-alphaShow Entry
Myrtenic acid PHUB001028166.099379691C10H14O2TerpenoidsMonoterpenoidsNot AvailableXPHVDOXZJRTIMV-UHFFFAOYSA-Nmyrtenic acid166.222.08e+00 g/l2.490.0Pinene-alphaShow Entry
(-)-Epicatechin 3'-O-glucuronide PHUB001029466.111126148C21H22O12PolyphenolsFlavonoidsFlavanolsJQLZOEMUAPKUFX-PYPAOAIXSA-N3,4,6-trihydroxy-5-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid466.3952.83e+00 g/l0.040.0(-)-EpicatechinShow Entry
(-)-Epicatechin 3'-O-sulfate PHUB001030370.035853205C15H14O9SPolyphenolsFlavonoidsFlavanolsVBSMBNMUYITMLB-IUODEOHRSA-N{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid370.331.38e+00 g/l0.010.0(-)-EpicatechinShow Entry
(-)-Epicatechin 4'-O-glucuronide PHUB001031466.111126148C21H22O12PolyphenolsFlavonoidsFlavanolsGFUPHJXKJATOLT-PYPAOAIXSA-N3,4,6-trihydroxy-5-{2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid466.3952.56e+00 g/l0.060.0(-)-EpicatechinShow Entry
(-)-Epicatechin 4'-O-sulfate PHUB001032370.035853205C15H14O9SPolyphenolsFlavonoidsFlavanolsYKRWCINYMPRAIG-IUODEOHRSA-N{2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid370.331.28e+00 g/l0.050.0(-)-EpicatechinShow Entry
(-)-Epicatechin 5-O-sulfate PHUB001033370.035853205C15H14O9SPolyphenolsFlavonoidsFlavanolsMWSSRHFQMROXGK-IUODEOHRSA-N[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid370.331.47e+00 g/l-0.050.0(-)-EpicatechinShow Entry
(-)-Epicatechin 7-O-glucuronide PHUB001034466.111126148C21H22O12PolyphenolsFlavonoidsFlavanolsSOORKLKDTNCAQH-WYVOFCQHSA-N5-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid466.3952.62e+00 g/l0.020.0(-)-EpicatechinShow Entry
(-)-Epicatechin glucuronide PHUB001035466.3989068C21H22O12PolyphenolsFlavonoidsFlavanols466.111130.0(-)-EpicatechinShow Entry
(-)-Epicatechin sulfate PHUB001036370.335352C15H14O9SPolyphenolsFlavonoidsFlavanols370.0358570.0(-)-EpicatechinShow Entry
(-)-Epicatechin sulfoglucuronide PHUB001037546.4612115C21H22O15SPolyphenolsFlavonoidsFlavanols546.0679470.0(-)-EpicatechinShow Entry
(Epi)catechin 3-O-gallate O-sulfate PHUB001038522.4417344C22H18O13SPolyphenolsFlavonoidsFlavanols522.0468170.0(-)-Epicatechin 3-O-gallateShow Entry
(Epi)catechin O-glucuronide PHUB001039466.3989068C21H22O12PolyphenolsFlavonoidsFlavanols466.111130.0(-)-EpicatechinShow Entry
(Epi)catechin O-sulfate PHUB001040370.335352C15H14O9SPolyphenolsFlavonoidsFlavanols370.0358570.0(-)-EpicatechinShow Entry
(Epi)gallocatechin O-glucuronide PHUB001041482.3982119C21H22O13PolyphenolsFlavonoidsFlavanols482.1060450.0(-)-EpigallocatechinShow Entry
(Epi)gallocatechin O-sulfate PHUB001042386.3346571C15H14O10SPolyphenolsFlavonoidsFlavanols386.0307720.0(-)-EpigallocatechinShow Entry
(Epi)gallocatechin-3-O-gallate O-sulfate PHUB001043538.4410395C22H18O14SPolyphenolsFlavonoidsFlavanols538.0417320.0(-)-Epigallocatechin 3-O-gallateShow Entry
1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol PHUB001044292.094688235C15H16O6PolyphenolsFlavonoidsFlavanolsOFUFTNROAPAIQL-UHFFFAOYSA-N2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,3,5-triol292.2873.28e-01 g/l0.830.0(-)-Epicatechin / Procyanidin dimer B2Show Entry
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol PHUB001045276.2896941C15H16O5PolyphenolsFlavonoidsFlavanols276.0997750.0(-)-Epicatechin / Procyanidin dimer B2Show Entry
3-(3',4'-Dihydroxyphenyl)propionic acid PHUB001046182.057908808C9H10O4PolyphenolsFlavonoidsFlavanolsDZAUWHJDUNRCTF-UHFFFAOYSA-Ndihydrocaffeic acid182.17332.62e+00 g/l1.040.0(-)-Epicatechin / Procyanidin dimer B2Show Entry
3-(3'-Hydroxyphenyl)propionic acid PHUB001047166.062994186C9H10O3PolyphenolsFlavonoidsFlavanolsQVWAEZJXDYOKEH-UHFFFAOYSA-N3-hydroxyphenylpropionic acid166.17392.80e+00 g/l1.140.0(-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2 / Hesperetin / Caffeic acid / Caftaric acid / Chlorogenic acid / Dihydrocaffeic acid / Ferulic acidShow Entry
3'-Hydroxyphenylacetic acid PHUB001048152.047344122C8H8O3PolyphenolsFlavonoidsFlavanolsFVMDYYGIDFPZAX-UHFFFAOYSA-N3-hydroxyphenylacetic acid152.14736.98e+00 g/l0.930.0(-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2 / Orange flavanonesShow Entry
3'-O-Methyl-(-)-epicatechin 4'-O-sulfate PHUB001049384.051503269C16H16O9SPolyphenolsFlavonoidsFlavanolsQGMVQGQNIUVPMC-MLGOLLRUSA-N{2-methoxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid384.369.40e-01 g/l0.090.0(-)-EpicatechinShow Entry
3'-O-Methyl-(-)-epicatechin 5-O-sulfate PHUB001050384.051503269C16H16O9SPolyphenolsFlavonoidsFlavanolsZFUHNDPCTCXKQO-MLGOLLRUSA-N[(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid384.361.03e+00 g/l0.060.0(-)-EpicatechinShow Entry
3'-O-Methyl-(-)-epicatechin 7-O-sulfate PHUB001051384.051503269C16H16O9SPolyphenolsFlavonoidsFlavanolsRIKCESGMRQZLKQ-CZUORRHYSA-N[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid384.369.11e-01 g/l0.110.0(-)-EpicatechinShow Entry
3'-O-Methyl-(-)-epicatechin glucuronide PHUB001052480.4258956C22H24O12PolyphenolsFlavonoidsFlavanols480.126780.0(-)-EpicatechinShow Entry
3'-O-Methyl(epi)catechin O-sulfate PHUB001053384.3623408C16H16O9SPolyphenolsFlavonoidsFlavanols384.0515070.0(-)-EpicatechinShow Entry
4'-O-Methyl-(-)-epicatechin 5-O-sulfate PHUB001054384.051503269C16H16O9SPolyphenolsFlavonoidsFlavanolsJSNCQMRECHVQQQ-MLGOLLRUSA-N[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid384.361.08e+00 g/l0.060.0(-)-EpicatechinShow Entry
4'-O-Methyl-(-)-epicatechin 7-O-sulfate PHUB001055384.051503269C16H16O9SPolyphenolsFlavonoidsFlavanolsNCEYJABYRYYGNC-CZUORRHYSA-N[(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid384.369.43e-01 g/l0.110.0(-)-EpicatechinShow Entry
4'-O-Methyl-(-)-epicatechin glucuronide PHUB001056480.4258956C22H24O12PolyphenolsFlavonoidsFlavanols480.126780.0(-)-EpicatechinShow Entry
4'-O-methyl(epi)catechin O-sulfate PHUB001057384.3623408C16H16O9SPolyphenolsFlavonoidsFlavanols384.0515070.0(-)-EpicatechinShow Entry
4'-O-methyl(epi)gallocatechin O-glucuronide PHUB001058496.4252007C22H24O13PolyphenolsFlavonoidsFlavanols496.1216950.0(-)-EpigallocatechinShow Entry
4'-O-Methyl(epi)gallocatechin O-sulfate PHUB001059400.3616459C16H16O10SPolyphenolsFlavonoidsFlavanols400.0464220.0(-)-EpigallocatechinShow Entry
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone PHUB001060208.073558872C11H12O4PolyphenolsFlavonoidsFlavanolsZNXXWTPQHVLMQT-UHFFFAOYSA-N5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one208.21061.38e+00 g/l1.470.0(-)-Epicatechin / Procyanidin dimer B2Show Entry
5-(3',4'-dihydroxyphenyl)valeric acid PHUB001061210.089208936C11H14O4PolyphenolsFlavonoidsFlavanolsKTDWBJGUMIZRHU-UHFFFAOYSA-N5-(3,4-dihydroxyphenyl)pentanoic acid210.22656.79e-01 g/l1.870.0(-)-Epicatechin / Procyanidin dimer B2Show Entry
5-(3'-hydroxyphenyl)-gama-valerolactone PHUB001062192.078644246C11H12O3PolyphenolsFlavonoidsFlavanolsVYWFHBSBNKNWSB-UHFFFAOYSA-N5-[(3-hydroxyphenyl)methyl]oxolan-2-one192.2141.14e+00 g/l1.780.0(-)-EpicatechinShow Entry
5-(3'-hydroxyphenyl)valeric acid PHUB001063194.094294314C11H14O3PolyphenolsFlavonoidsFlavanolsCMLIEOOXQFWANJ-UHFFFAOYSA-N5-(3-hydroxyphenyl)pentanoic acid194.22714.50e-01 g/l1.970.0(-)-Epicatechin / Procyanidin dimer B2Show Entry
Methyl-(-)-epicatechin sulfate PHUB001064384.3623408C16H16O9SPolyphenolsFlavonoidsFlavanols384.0515070.0(-)-EpicatechinShow Entry
Methyl-(-)-epicatechin sulfoglucuronide PHUB001065560.4882003C22H24O15SPolyphenolsFlavonoidsFlavanols560.0835970.0(-)-EpicatechinShow Entry
O-Methyl(epi)catechin-3-O-gallate O-sulfate PHUB001066536.4687232C23H20O13SPolyphenolsFlavonoidsFlavanols536.0624670.0(-)-Epicatechin 3-O-gallateShow Entry
O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate PHUB001067552.4680283C23H20O14SPolyphenolsFlavonoidsFlavanols552.0573820.0(-)-Epigallocatechin 3-O-gallateShow Entry
Phenylacetic acid PHUB001068136.0524295C8H8O2PolyphenolsFlavonoidsFlavanolsWLJVXDMOQOGPHL-UHFFFAOYSA-Nω-phenylacetic acid136.14793.61e+00 g/l1.720.0(-)-Epicatechin / Procyanidin dimer A2 / Procyanidin dimer B2Show Entry
3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid PHUB001069212.068473486C10H12O5PolyphenolsFlavonoidsFlavanonesJEXBTMWMYGBBHO-UHFFFAOYSA-N3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid212.2013.51e+00 g/l0.950.0Hesperidin / Orange flavanonesShow Entry
3-(3'-Hydroxy-4-methoxyphenyl)propionic acid PHUB001070196.073558866C10H12O4PolyphenolsFlavonoidsFlavanonesDihydroisoferulic acidZVIJTQFTLXXGJA-UHFFFAOYSA-N3-(3-hydroxy-4-methoxyphenyl)propanoic acid196.2021.33e+00 g/l1.040.0Show Entry
3-(4'-Hydroxyphenyl)propionic acid PHUB001072166.062994186C9H10O3PolyphenolsFlavonoidsFlavanonesNMHMNPHRMNGLLB-UHFFFAOYSA-Nhydroxyphenyl propionic acid166.17392.71e+00 g/l1.150.0Naringenin / Naringin / Coumaric acid (p-) / Ferulic acid / QuercetinShow Entry
Dihydrocaffeic acid glucuronide PHUB001076358.3021714C15H18O10PolyphenolsFlavonoidsFlavanones3',4'-Dihydroxyhydrocinnamic acid glucuronide358.090.0Eriocitrin / EriodictyolShow Entry
3-Phenylpropionic acid PHUB001078150.068079564C9H10O2PolyphenolsFlavonoidsFlavanonesXMIIGOLPHOKFCH-UHFFFAOYSA-N3-phenylpropionic acid150.17451.70e+00 g/l1.840.0Procyanidin dimer A2 / Naringenin / Naringin / Coumaric acid (p-) / Ferulic acidShow Entry
Eriodictyol 7-O-glucuronide PHUB001081464.095476084C21H20O12PolyphenolsFlavonoidsFlavanonesYSORAXGDTRAEMV-UHFFFAOYSA-Neriodictyol 7-glucuronide464.3791.90e+00 g/l1.110.0Eriocitrin / EriodictyolShow Entry
Eriodictyol O-glucuronide PHUB001083464.3829549C21H20O12PolyphenolsFlavonoidsFlavanones464.095480.0Eriodictyol-6-C-glucoside / Eriodictyol-8-C-glucosideShow Entry
Eriodictyol O-sulfate PHUB001085368.3194001C15H12O9SPolyphenolsFlavonoidsFlavanones368.0202070.0Eriodictyol-6-C-glucoside / Eriodictyol-8-C-glucosideShow Entry
Hesperetin 3',7-O-diglucuronide PHUB001090654.143214126C28H30O18PolyphenolsFlavonoidsFlavanonesDRQALSJOSDMKCR-UHFFFAOYSA-N6-(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 acid654.533.09e+00 g/l0.060.0Hesperetin / HesperidinShow Entry
Hesperetin 3'-O-glucuronide PHUB001092478.111126148C22H22O12PolyphenolsFlavonoidsFlavanonesPJAUEKWZQWLQSU-UHFFFAOYSA-N6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid478.4061.79e+00 g/l0.720.0Hesperetin / HesperidinShow Entry
Hesperetin 3'-O-sulfate PHUB001094382.035852736C16H14O9SPolyphenolsFlavonoidsFlavanonesAXWNOFHBYPBYNO-UHFFFAOYSA-N[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenyl]oxidanesulfonic acid382.3426.32e-01 g/l0.410.0Hesperetin / HesperidinShow Entry
Hesperetin 5,7-O-diglucuronide PHUB001096654.143214126C28H30O18PolyphenolsFlavonoidsFlavanonesDDHZYRQUEFLRIC-UHFFFAOYSA-N6-({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 acid654.534.13e+00 g/l0.060.0Hesperetin / HesperidinShow Entry
Hesperetin 7-O-glucuronide PHUB001098478.111126148C22H22O12PolyphenolsFlavonoidsFlavanonesNEAWXAXVQDDFJL-UHFFFAOYSA-N3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid478.4061.98e+00 g/l0.930.0Hesperetin / HesperidinShow Entry
Hesperetin glucuronide PHUB001100478.4099437C22H22O12PolyphenolsFlavonoidsFlavanones478.111130.0Eriocitrin / EriodictyolShow Entry
Hesperetin sulfoglucuronide PHUB001102558.4722484C22H22O15SPolyphenolsFlavonoidsFlavanones558.0679470.0Hesperetin / HesperidinShow Entry
Hesperetin-O-sulfate PHUB001104382.3463889C16H14O9SPolyphenolsFlavonoidsFlavanones382.0358570.0HesperidinShow Entry
Homoeriodictyol PHUB001105302.07903818C16H14O6PolyphenolsFlavonoidsFlavanonesFTODBIPDTXRIGS-UHFFFAOYSA-N5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one302.27881.33e-01 g/l2.530.0Eriocitrin / Eriodictyol / HesperetinShow Entry
Homoeriodictyol 4'-O-glucuronide PHUB001108478.111126148C22H22O12PolyphenolsFlavonoidsFlavanonesQUQKBXQFNGNPRT-UHFFFAOYSA-N5-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid478.4061.34e+00 g/l0.610.0HesperetinShow Entry
Homoeriodictyol 7-O-glucuronide PHUB001109478.111126148C22H22O12PolyphenolsFlavonoidsFlavanonesDWRWUJOWQSLIKP-UHFFFAOYSA-N3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid478.4061.78e+00 g/l0.890.0HesperetinShow Entry
Homoeriodictyol glucuronide PHUB001110478.4099437C22H22O12PolyphenolsFlavonoidsFlavanones478.111130.0Eriocitrin / EriodictyolShow Entry
Homoeriodictyol O-sulfate PHUB001112382.3463889C16H14O9SPolyphenolsFlavonoidsFlavanones382.0358570.0HesperetinShow Entry
Naringenin 4'-O-glucuronide PHUB001113448.100561464C21H20O11PolyphenolsFlavonoidsFlavanonesDFIUUCDSSKATFP-UHFFFAOYSA-N6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid448.381.48e+00 g/l0.730.0Naringenin / Prunin / Naringin / NarirutinShow Entry
Naringenin 7-O-glucuronide PHUB001117448.100561482C21H20O11PolyphenolsFlavonoidsFlavanonesBDCRTIDKZGEVEN-UHFFFAOYSA-N3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid448.37691.69e+00 g/l0.650.0Naringenin / Prunin / Naringin / NarirutinShow Entry
Naringenin O-diglucuronide PHUB001121624.5095093C27H28O17PolyphenolsFlavonoidsFlavanones624.1326550.0Naringenin / NarirutinShow Entry
Naringenin O-sulfate PHUB001123352.320095C15H12O8SPolyphenolsFlavonoidsFlavanones352.0252920.0NaringeninShow Entry
Naringenin O-sulfo-O-glucuronide PHUB001124528.4459545C21H20O14SPolyphenolsFlavonoidsFlavanones528.0573820.0NaringeninShow Entry
Phloroglucinol PHUB001126126.031694058C6H6O3PolyphenolsFlavonoidsFlavanones1,3,5-trihydroxyphenolQCDYQQDYXPDABM-UHFFFAOYSA-Nphloroglucinol126.113.58e+01 g/l0.250.0Eriodictyol / Hesperetin / Naringenin / QuercetinShow Entry
2,4,6-Trihydroxybenzoic acid PHUB001129170.021523302C7H6O5PolyphenolsFlavonoidsFlavonolsIBHWREHFNDMRPR-UHFFFAOYSA-N2,4,6-trihydroxybenzoic acid170.11955.97e+00 g/l1.120.0QuercetinShow Entry
2-Methoxyphenylacetic acid PHUB001130166.062994182C9H10O3PolyphenolsFlavonoidsFlavonolsIVEWTCACRDEAOB-UHFFFAOYSA-Nbenzeneacetic acid, 2-methoxy-166.1762.24e+00 g/l1.670.0QuercetinShow Entry
4-Ethylbenzoic acid PHUB001132150.068079564C9H10O2PolyphenolsFlavonoidsFlavonolsZQVKTHRQIXSMGY-UHFFFAOYSA-N4-ethylbenzoic acid150.17457.32e-01 g/l2.770.0QuercetinShow Entry
Isorhamnetin 7-O-glucuronide PHUB001138492.090390704C22H20O13PolyphenolsFlavonoidsFlavonols3'-O-Methylquercetin 7-O-glucuronideBFNMTBBQGPCZCH-UHFFFAOYSA-N6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid492.3891.41e+00 g/l1.050.0QuercetinShow Entry
Quercetin 3'-O-glucuronide PHUB001141478.07474064C21H18O13PolyphenolsFlavonoidsFlavonolsLBJLXDMWOKJIPQ-UHFFFAOYSA-N3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid478.3621.85e+00 g/l1.030.0Quercetin / Quercetin 3,4'-O-diglucoside / Quercetin 4'-O-glucosideShow Entry
Quercetin 4'-O-glucuronide PHUB001143478.074740662C21H18O13PolyphenolsFlavonoidsFlavonolsOUQZCILJSVDJFB-UHFFFAOYSA-N3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid478.35981.63e+00 g/l1.050.0QuercetinShow Entry
Quercetin 7-O-glucuronide PHUB001144478.07474064C21H18O13PolyphenolsFlavonoidsFlavonolsJXWGCVLNCGCZRU-UHFFFAOYSA-N6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid478.3621.71e+00 g/l1.040.0QuercetinShow Entry
Quercetin glucuronide PHUB001145478.3663081C21H18O13PolyphenolsFlavonoidsFlavonols478.0747450.0QuercetinShow Entry
Tamarixetin PHUB001146316.058302738C16H12O7PolyphenolsFlavonoidsFlavonols4'-O-Methyl quercetinFPLMIPQZHHQWHN-UHFFFAOYSA-Ntamarixetin316.26231.51e-01 g/l1.950.0Quercetin 4'-O-glucosideShow Entry
5,5'-Dicaffeic acid PHUB001147358.068867411C18H14O8PolyphenolsPhenolic acidsHydroxycinnamic acidsCaffeic acid-5-5-caffeic acidGOQXOMYMZHGINX-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 acid358.3023.24e-02 g/l2.890.05,5'-Diferulic acidShow Entry
5,5'-Dihydroferulic acid PHUB001148390.131467668C20H22O8PolyphenolsPhenolic acidsHydroxycinnamic acidsDihydroferulic acid-5-5-dihydroferulic acidJRBMIJHXCZHZNJ-UHFFFAOYSA-N3-[5'-(2-carboxyethyl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]propanoic acid390.3881.87e-02 g/l2.300.05,5'-Diferulic acidShow Entry
Caffeic acid-5-5-dihydrocaffeic acid PHUB001149360.084517475C18H16O8PolyphenolsPhenolic acidsHydroxycinnamic acidsWTXOKXDJISAJCN-HNQUOIGGSA-N(2E)-3-[5'-(2-carboxyethyl)-2',3',5,6-tetrahydroxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid360.3185.15e-02 g/l2.490.05,5'-Diferulic acidShow Entry
Ferulic acid-5-5-caffeic acid PHUB001150372.084517475C19H16O8PolyphenolsPhenolic acidsHydroxycinnamic acidsSSKZFABYAGMNNQ-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 acid372.3291.59e-02 g/l3.040.05,5'-Diferulic acidShow Entry
Ferulic acid-5-5-dihydroferulic acid PHUB001151388.115817604C20H20O8PolyphenolsPhenolic acidsHydroxycinnamic acidsDUNGASGYXTWIDO-HWKANZROSA-N(2E)-3-[5'-(2-carboxyethyl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid388.3721.80e-02 g/l2.720.05,5'-Diferulic acidShow Entry
3-(4'-Hydroxy-3'-methoxyphenyl)pyruvic acid PHUB001153210.05282343C10H10O5PolyphenolsPhenolic acidsHydroxycinnamic acidsYGQHQTMRZPHIBB-UHFFFAOYSA-N3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid210.18341.30e+00 g/l1.360.0Show Entry
3'-Hydroxyhippuric acid PHUB001161195.053157781C9H9NO4PolyphenolsPhenolic acidsMiscellaneous phenolic acids3'-Hydroxyhippuric acidZMHLUFWWWPBTIU-UHFFFAOYSA-N[(4-hydroxyphenyl)formamido]acetic acid195.17212.63e+00 g/l0.440.0(-)-Epicatechin / Caffeic acid / Chlorogenic acid / Coumaric acid (m-) / Orange flavanonesShow Entry
Caffeic acid glucuronide PHUB001164356.2862195C15H16O10PolyphenolsPhenolic acidsHydroxycinnamic acids356.074350.0Caffeic acidShow Entry
Caffeic acid sulfoglucuronide PHUB001165436.3485242C15H16O13SPolyphenolsPhenolic acidsHydroxycinnamic acids436.0311670.0Caffeic acidShow Entry
Dihydroferulic acid PHUB001168196.073558872C10H12O4PolyphenolsPhenolic acidsHydroxycinnamic acidsBOLQJTPHPSDZHR-UHFFFAOYSA-Nhomovanillinic acid196.19991.30e+00 g/l1.030.0Caffeic acid / Dihydrocaffeic acid / Ferulic acid / Orange flavanonesShow Entry
Ferulic acid glucuronide PHUB001170370.3132083C16H18O10PolyphenolsPhenolic acidsHydroxycinnamic acids370.090.0Caffeic acid / Ferulic acidShow Entry
Ferulic acid sulfate PHUB001171274.2496535C10H10O7SPolyphenolsPhenolic acidsHydroxycinnamic acids274.0147270.0Caffeic acid / Dihydrocaffeic acid / Ferulic acidShow Entry
Ferulic acid sulfoglucuronide PHUB001172450.375513C16H18O13SPolyphenolsPhenolic acidsHydroxycinnamic acids450.0468170.0Caffeic acid / Ferulic acidShow Entry
Feruloylglycine PHUB001173251.079372531C12H13NO5PolyphenolsPhenolic acidsHydroxycinnamic acidsCLGNQAIRBLDHIN-HWKANZROSA-NN-feruloylglycine251.23534.27e-01 g/l1.590.0Caffeic acid / Ferulic acidShow Entry
Hippuric acid PHUB001174179.058243159C9H9NO3PolyphenolsPhenolic acidsHydroxycinnamic acidsQIAFMBKCNZACKA-UHFFFAOYSA-Nhippuric acid179.17271.18e+00 g/l0.230.0(-)-Epicatechin / Cyanidin 3-O-glucoside / Caffeic acid / Chlorogenic acid / Coumaric acid (p-) / Ferulic acid / Quinic acid / Orange flavanonesShow Entry
Hydroxybenzoic acid PHUB001175138.1230293C7H6O3PolyphenolsPhenolic acidsHydroxycinnamic acids138.0316950.0Caffeic acidShow Entry
Hydroxyhippuric acid PHUB001176195.175099C9H9NO4PolyphenolsPhenolic acidsHydroxycinnamic acids195.0531590.0Caffeic acidShow Entry
Hydroxyphenylpropionic acid PHUB001177166.1770068C9H10O3PolyphenolsPhenolic acidsHydroxycinnamic acids166.0629950.0Caffeic acidShow Entry
Vanilloylglycine PHUB001180225.063722467C10H11NO5PolyphenolsPhenolic acidsHydroxycinnamic acidsLOODYTDRRBLQNH-UHFFFAOYSA-N{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid225.1987.73e-01 g/l0.740.0Caffeic acid / Ferulic acidShow Entry
Coumaric acid glucuronide (m-) PHUB001194340.2869145C15H16O9PolyphenolsPhenolic acidsHydroxycinnamic acids340.0794350.0Coumaric acid (m-)Show Entry
Coumaric acid glucuronide (p-) PHUB001198340.2869145C15H16O9PolyphenolsPhenolic acidsHydroxycinnamic acids4-Hydroxycinnamic acid glucuronide340.0794350.0Coumaric acid (p-) / Orange flavanonesShow Entry
Coumaric acid sulfate (p-) PHUB001199244.2233596C9H8O6SPolyphenolsPhenolic acidsHydroxycinnamic acids244.0041620.0Coumaric acid (p-)Show Entry
Coumaric acid sulfoglucuronide (p-) PHUB001200420.3492191C15H16O12SPolyphenolsPhenolic acidsHydroxycinnamic acids420.0362520.0Coumaric acid (p-)Show Entry
Hydroxybenzoic acid (p-) PHUB001202138.031694053C7H6O3PolyphenolsPhenolic acidsHydroxycinnamic acids4-Hydroxybenzoic acidFJKROLUGYXJWQN-UHFFFAOYSA-NP-hydroxybenzoic acid138.1221.19e+01 g/l1.580.0Coumaric acid (p-) / Ferulic acidShow Entry
Dihydrocaffeic acid 3-O-glucuronide PHUB001204358.08999678C15H18O10PolyphenolsPhenolic acidsHydroxycinnamic acids3,4-Dihydroxyphenylpropionic acid 3-O-glucuronideAELQNMHOLDHBFA-VVSAWPALSA-N(2R,3R,4R,5S,6R)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid358.2998.41e+00 g/l-0.090.0Dihydrocaffeic acidShow Entry
Dihydrocaffeic acid 4-O-glucuronide PHUB001205358.08999678C15H18O10PolyphenolsPhenolic acidsHydroxycinnamic acids3,4-Dihydroxyphenylpropionic acid 4-O-glucuronideDUTJMLCURMYWCW-HXMBFPRCSA-N(2S,3S,4S,5R)-6-[4-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid358.2997.58e+00 g/l-0.050.0Dihydrocaffeic acidShow Entry
Dihydrocaffeic acid sulfate PHUB001206262.2386166C9H10O7SPolyphenolsPhenolic acidsHydroxycinnamic acids262.0147270.0Dihydrocaffeic acidShow Entry
Dihydroferulic acid sulfate PHUB001208276.2656054C10H12O7SPolyphenolsPhenolic acidsHydroxycinnamic acids276.0303770.0Dihydrocaffeic acidShow Entry
Isoferulic acid sulfate PHUB001212274.2496535C10H10O7SPolyphenolsPhenolic acidsHydroxycinnamic acids274.0147270.0Dihydrocaffeic acidShow Entry
3,4-Dihydroxybenzoic acid PHUB001216154.026608673C7H6O4PolyphenolsPhenolic acidsHydroxycinnamic acidsYQUVCSBJEUQKSH-UHFFFAOYSA-N3,4-dihydroxybenzoic acid154.1211.24e+01 g/l1.320.0Ferulic acidShow Entry
3,4-Dimethoxybenzoic acid PHUB001218182.057908808C9H10O4PolyphenolsPhenolic acidsHydroxycinnamic acidsDAUAQNGYDSHRET-UHFFFAOYSA-Nveratric acid182.17331.64e+00 g/l1.520.0Ferulic acidShow Entry
3',4'-Dihydroxyphenylacetic acid PHUB001234168.042258744C8H8O4PolyphenolsFlavonoidsFlavanols2-(3',4'-Dihydroxyphenyl)acetic acidCFFZDZCDUFSOFZ-UHFFFAOYSA-N3,4 dihydroxyphenylacetic acid168.14677.23e+00 g/l0.930.0Procyanidin dimer A2Show Entry
4'-Hydroxyphenylacetic acid PHUB001237152.047344122C8H8O3PolyphenolsFlavonoidsFlavanols2-(4'-Hydroxyphenyl)acetic acidXQXPVVBIMDBYFF-UHFFFAOYSA-N4-hydroxyphenylacetic acid152.14737.12e+00 g/l0.930.0Procyanidin dimer A2 / Orange flavanonesShow Entry
(Epi)catechin PHUB001241290.07903818C15H14O6PolyphenolsFlavonoidsFlavanolsPFTAWBLQPZVEMU-UHFFFAOYSA-N(-)-catechol290.26816.45e-01 g/l1.020.0Procyanidin dimer B2 / Procyanidin dimer B5Show Entry
5-(3'-Hydroxyphenyl)-gamma-valerolactone PHUB001249192.078644246C11H12O3PolyphenolsFlavonoidsFlavanolsVYWFHBSBNKNWSB-UHFFFAOYSA-N5-[(3-hydroxyphenyl)methyl]oxolan-2-one192.2141.14e+00 g/l1.780.0Procyanidin dimer B2Show Entry
Hydroxyprocyanidin B2 PHUB001251594.5294478C30H26O13PolyphenolsFlavonoidsFlavanols594.1373450.0Procyanidin dimer B2Show Entry
3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid PHUB001254330.058696651C13H14O10PolyphenolsFlavonoidsAnthocyaninsCXNFDJSOAJNKSU-ACQMTVLSSA-N(3S,4S,5R,6R)-6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid330.2451.59e+01 g/l-0.120.0Cyanidin / Cyanidin 3-O-glucoside / Pelargonidin / Pelargonidin 3-O-glucosideShow Entry
4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid PHUB001255330.058696651C13H14O10PolyphenolsFlavonoidsAnthocyaninsNLCBCVGRBFNEJE-ACQMTVLSSA-N(3S,4S,5R,6R)-6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid330.2451.50e+01 g/l-0.060.0Cyanidin / Cyanidin 3-O-glucoside / Pelargonidin / Pelargonidin 3-O-glucosideShow Entry
4-(1-Carboxyphenyl)beta-D-glucuronic acid PHUB001256314.063782031C13H14O9PolyphenolsFlavonoidsAnthocyaninsDKNOHNCMCYDVLT-ACQMTVLSSA-N(3S,4S,5R,6R)-6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid314.2461.14e+01 g/l-0.560.0Cyanidin / Cyanidin 3-O-glucoside / Pelargonidin / Pelargonidin 3-O-glucosideShow Entry
Peonidin 3-glucoside PHUB001257463.123487981C22H23O11PolyphenolsFlavonoidsAnthocyanins3'-Methylcyanidin 3-glucosideZZWPMFROUHHAKY-OTVISBKVSA-O5,7-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-ylium463.4144.18e-01 g/l1.180.0Cyanidin 3,5-O-diglucoside / Cyanidin 3-O-glucosideShow Entry
2-Hydroxy-4-methoxybenzoic acid PHUB001258168.042258744C8H8O4PolyphenolsFlavonoidsAnthocyaninsMRIXVKKOHPQOFK-UHFFFAOYSA-N2-hydroxy-4-methoxybenzoic acid168.14673.47e+00 g/l1.820.0Cyanidin 3-O-glucosideShow Entry
3,4-Dihydroxybenzaldehyde PHUB001260138.031694058C7H6O3PolyphenolsFlavonoidsAnthocyaninsIBGBGRVKPALMCQ-UHFFFAOYSA-N3,4-dihydroxybenzaldehyde138.12071.43e+01 g/l0.890.0Cyanidin 3-O-glucosideShow Entry
4-Methoxybenzaldehyde PHUB001268136.0524295C8H8O2PolyphenolsFlavonoidsAnthocyaninsZRSNZINYAWTAHE-UHFFFAOYSA-Nanisaldehyde136.14791.71e+00 g/l1.640.0Cyanidin 3-O-glucosideShow Entry
Cyanidin 3-glucoside glucuronide PHUB001270639.5444741C28H31O17PolyphenolsFlavonoidsAnthocyanins639.156130.0Cyanidin 3-O-glucosideShow Entry
Cyanidin glucuronide PHUB001271477.4019678C22H21O12PolyphenolsFlavonoidsAnthocyanins477.1033050.0Cyanidin 3-O-glucosideShow Entry
Isopeonidin 3-glucoside PHUB001274463.123487981C22H23O11PolyphenolsFlavonoidsAnthocyanins4'-Methylcyanidin 3-glucosideCNTWHHYMFNSRNJ-OTVISBKVSA-O5,7-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-ylium463.4144.29e-01 g/l1.190.0Cyanidin 3-O-glucosideShow Entry
Isopeonidin glucuronide PHUB001275491.4289566C23H23O12PolyphenolsFlavonoidsAnthocyanins4'-Methylcyanidin monoglucuronide491.1189550.0Cyanidin 3-O-glucosideShow Entry
Isovanillic acid PHUB001276168.042258744C8H8O4PolyphenolsFlavonoidsAnthocyaninsLBKFGYZQBSGRHY-UHFFFAOYSA-Nisovanillic acid168.14674.42e+00 g/l1.810.0Cyanidin 3-O-glucosideShow Entry
Isovanillic acid 3-O-glucuronide PHUB001277344.074346715C14H16O10PolyphenolsFlavonoidsAnthocyaninsWREVRVHLTSYMIJ-UHFFFAOYSA-N6-(5-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid344.2729.87e+00 g/l-0.650.0Cyanidin 3-O-glucosideShow Entry
Isovanillic acid 3-O-sulfate PHUB001278247.999073772C8H8O7SPolyphenolsFlavonoidsAnthocyaninsVSFFJSSUGMYRMP-UHFFFAOYSA-N4-methoxy-3-(sulfooxy)benzoic acid248.212.13e+00 g/l-0.730.0Cyanidin 3-O-glucosideShow Entry
Methyl-3,4-dihydroxybenzoate PHUB001279168.042258738C8H8O4PolyphenolsFlavonoidsAnthocyaninsCUFLZUDASVUNOE-UHFFFAOYSA-Nmethyl 3,4-dihydroxybenzoate168.1485.44e+00 g/l1.400.0Cyanidin 3-O-glucosideShow Entry
Methylcyanidin 3-glucoside-glucuronide PHUB001280653.5714628C29H33O17PolyphenolsFlavonoidsAnthocyanins653.171780.0Cyanidin 3-O-glucosideShow Entry
Methylcyanidin glucuronide PHUB001281491.4289566C23H23O12PolyphenolsFlavonoidsAnthocyanins491.1189550.0Cyanidin 3-O-glucosideShow Entry
Methylvanillate PHUB001282182.057908808C9H10O4PolyphenolsFlavonoidsAnthocyaninsBVWTXUYLKBHMOX-UHFFFAOYSA-Nvanillate182.17333.57e+00 g/l2.120.0Cyanidin 3-O-glucosideShow Entry
Peonidin 3-glucoside glucuronide PHUB001284653.5714628C29H33O17PolyphenolsFlavonoidsAnthocyanins3'-Methylcyanidin 3-glucoside glucuronide653.171780.0Cyanidin 3-O-glucosideShow Entry
Peonidin glucuronide PHUB001285491.4289566C23H23O12PolyphenolsFlavonoidsAnthocyanins3'-Methylcyanidin glucuronide491.1189550.0Cyanidin 3-O-glucosideShow Entry
Phloroglucinaldehyde PHUB001286154.026608673C7H6O4PolyphenolsFlavonoidsAnthocyaninsBTQAJGSMXCDDAJ-UHFFFAOYSA-N2,4,6-trihydroxybenzaldehyde154.1218.00e+00 g/l0.700.0Cyanidin 3-O-glucosideShow Entry
Protocatechuic acid 3-O-glucuronide PHUB001288330.058696651C13H14O10PolyphenolsFlavonoidsAnthocyaninsCXNFDJSOAJNKSU-UHFFFAOYSA-N6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid330.2451.59e+01 g/l-0.120.0Cyanidin 3-O-glucosideShow Entry
Protocatechuic acid 3-O-sulfate PHUB001289233.983423707C7H6O7SPolyphenolsFlavonoidsAnthocyaninsGSFKEOSQCKWCLH-UHFFFAOYSA-N4-hydroxy-3-(sulfooxy)benzoic acid234.183.06e+00 g/l-0.710.0Cyanidin 3-O-glucosideShow Entry
Protocatechuic acid 4-O-glucuronide PHUB001290330.058696651C13H14O10PolyphenolsFlavonoidsAnthocyaninsNLCBCVGRBFNEJE-UHFFFAOYSA-N6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid330.2451.50e+01 g/l-0.060.0Cyanidin 3-O-glucosideShow Entry
Protocatechuic acid 4-O-sulfate