PhytoHub: Showing entry for Broccoli

Broccoli

Group:: Vegetables, Cabbages

Identification

Name: Broccoli
ID: 19
Food group: Vegetables, Cabbages

Synonyms

No Synonyms

External Links

ITIS: 530961
FooDB (Foods): 34

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Carotene-alpha	C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	536.438201803	C₄₀H₅₆	Terpenoids	Carotenoids	Publications	Show
Carotene-beta	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	536.438201803	C₄₀H₅₆	Terpenoids	Carotenoids	Publications	Show
Lutein	C\C(\C=C\C=C(/C)\C=C\[[email protected]]1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[[email protected]@H](O)CC1(C)C	568.428031043	C₄₀H₅₆O₂	Terpenoids	Carotenoids	Publications	Show
Brassicasterol	CC(C)[[email protected]@H](C)\C=C\[[email protected]@H](C)C1CCC2C3CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C	398.354866101	C₂₈H₄₆O	Terpenoids	Phytosterols	Publications	Show
Campestanol	CC(C)[[email protected]](C)CC[[email protected]@H](C)C1CCC2C3CCC4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C	402.38616623	C₂₈H₅₀O	Terpenoids	Phytosterols	Publications	Show
Campesterol	[H][[email protected]@]1(CC[[email protected]@]2([H])[[email protected]]3([H])CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)[[email protected]@]3([H])CC[[email protected]]12C)[[email protected]](C)CC[[email protected]@H](C)C(C)C	400.370516166	C₂₈H₄₈O	Terpenoids	Phytosterols	Publications	Show
Sitostanol-beta	CC[[email protected]](CC[[email protected]@H](C)C1CCC2C3CCC4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C)C(C)C	416.401816294	C₂₉H₅₂O	Terpenoids	Phytosterols	Publications	Show
Sitosterol-beta	CC[[email protected]](CC[[email protected]@H](C)C1CCC2C3CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C)C(C)C	414.38616623	C₂₉H₅₀O	Terpenoids	Phytosterols	Publications	Show
Stigmasterol	CC[[email protected]](\C=C\[[email protected]@H](C)C1CCC2C3CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C)C(C)C	412.370516166	C₂₉H₄₈O	Terpenoids	Phytosterols	Publications	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Publications	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC(O)=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Publications	Show
(+)-Pinoresinol	[H][[email protected]@]12CO[[email protected]@H](C3=CC=C(O)C(OC)=C3)[[email protected]]1([H])CO[[email protected]]2C1=CC(OC)=C(O)C=C1	358.141638428	C₂₀H₂₂O₆	Polyphenols	Lignans	Publications	Show
(+)-Lariciresinol	COC1=C(O)C=CC(C[[email protected]]2CO[[email protected]@H]([[email protected]]2CO)C2=CC(OC)=C(O)C=C2)=C1	360.157288493	C₂₀H₂₄O₆	Polyphenols	Lignans	Publications	Show
Myricetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1	318.037567282	C₁₅H₁₀O₈	Polyphenols	Flavonoids	Publications	Show
Spermidine	NCCCCNCCCN	145.157897624	C₇H₁₉N₃	N-containing compounds	Amines	Publications	Show
Kaempferol	OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	286.047738042	C₁₅H₁₀O₆	Polyphenols	Flavonoids	Publications	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
Kaempferol 3-O-sophoroside	OC[[email protected]]1O[[email protected]@H](O[[email protected]@H]2[[email protected]@H](O)[[email protected]](O)[[email protected]@H](CO)O[[email protected]]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O	610.153384886	C₂₇H₃₀O₁₆	Polyphenols	Flavonoids	Publications	Show
Quercetin 3-O-sophoroside	OC[[email protected]@H]1O[[email protected]](O[[email protected]]2[[email protected]](O)[[email protected]@H](O)[[email protected]](CO)O[[email protected]@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[[email protected]@H](O)[[email protected]](O)[[email protected]]1O	626.148299506	C₂₇H₃₀O₁₇	Polyphenols	Flavonoids	Publications	Show
3-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Quercetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1	302.042652662	C₁₅H₁₀O₇	Polyphenols	Flavonoids	Publications	Show
1,2-Diferuloylgentiobiose	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O	694.210899764	C₃₂H₃₈O₁₇	Polyphenols	Phenolic acids	Publications	Show
Isoquercitrin	OC[[email protected]]1O[[email protected]@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O	464.095476084	C₂₁H₂₀O₁₂	Polyphenols	Flavonoids	Publications	Show
1,2'-Disinapoyl-2-feruloylgentiobiose	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O	930.27937325	C₄₄H₅₀O₂₂	Polyphenols	Phenolic acids	Publications	Show
5-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Kaempferol 3,7-O-diglucoside	OC[[email protected]]1O[[email protected]@H](OC2=CC(O)=C3C(=O)C(O[[email protected]@H]4O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O	610.153384886	C₂₇H₃₀O₁₆	Polyphenols	Flavonoids	Publications	Show
Astragalin	OC[[email protected]]1O[[email protected]@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O	448.100561464	C₂₁H₂₀O₁₁	Polyphenols	Flavonoids	Publications	Show
1,2,2'-Trisinapoylgentiobiose	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O	960.289937934	C₄₅H₅₂O₂₃	Polyphenols	Phenolic acids	Publications	Show
1-Sinapoyl-2-feruloylgentiobiose	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O	724.221464448	C₃₃H₄₀O₁₈	Polyphenols	Phenolic acids	Publications	Show
Secoisolariciresinol	COC1=C(O)C=CC(C[[email protected]@H](CO)[[email protected]](CO)CC2=CC(OC)=C(O)C=C2)=C1	362.172938557	C₂₀H₂₆O₆	Polyphenols	Lignans	Publications	Show
1,2-Disinapoylgentiobiose	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O	754.232029132	C₃₄H₄₂O₁₉	Polyphenols	Phenolic acids	Publications	Show
1-Sinapoyl-2,2'-diferuloylgentiobiose	COC1=CC(\C=C\C(=O)OC2C(OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)C2O)=CC=C1O	900.268808566	C₄₃H₄₈O₂₁	Polyphenols	Phenolic acids	Publications	Show
1,2,2'-Triferuloylgentiobiose	COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O	870.258243881	C₄₂H₄₆O₂₀	Polyphenols	Phenolic acids	Publications	Show
Neoglucobrassicin	CON1C=C(C\C(S[[email protected]@H]2OC(CO)[[email protected]@H](O)[[email protected]](O)C2O)=N/OS([O-])(=O)=O)C2=C1C=CC=C2	477.064310812	C₁₇H₂₁N₂O₁₀S₂	N-containing compounds	Glucosinolates	Publications	Show
Progoitrin	[H][[email protected]@](O)(C\C(S[[email protected]@H]1OC(CO)[[email protected]@H](O)[[email protected]](O)C1O)=N/OS([O-])(=O)=O)C=C	388.037761712	C₁₁H₁₈NO₁₀S₂	N-containing compounds	Glucosinolates	Publications	Show
Gluconapoleiferin	[H][[email protected]](O)(CC=C)C\C(S[[email protected]@H]1OC(CO)[[email protected]@H](O)[[email protected]](O)C1O)=N/OS([O-])(=O)=O	402.053411776	C₁₂H₂₀NO₁₀S₂	N-containing compounds	Glucosinolates	Publications	Show
Gluconasturtiin	OCC1O[[email protected]@H](S\C(CCC2=CC=CC=C2)=N\OS([O-])(=O)=O)C(O)[[email protected]@H](O)[[email protected]@H]1O	422.058497156	C₁₅H₂₀NO₉S₂	N-containing compounds	Glucosinolates	Publications	Show
Sinigrin	OCC1O[[email protected]@H](S\C(CC=C)=N\OS([O-])(=O)=O)C(O)[[email protected]@H](O)[[email protected]@H]1O	358.027197027	C₁₀H₁₆NO₉S₂	N-containing compounds	Glucosinolates	Publications	Show
Glucoiberin	CS(=O)CCC\C(S[[email protected]@H]1OC(CO)[[email protected]@H](O)[[email protected]](O)C1O)=N/OS([O-])(=O)=O	422.02548295	C₁₁H₂₀NO₁₀S₃	N-containing compounds	Glucosinolates	Publications	Show
Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(O)=O	204.089877634	C₁₁H₁₂N₂O₂	N-containing compounds	Amino acids	Publications	Show
4-Hydroxyglucobrassicin	OCC1O[[email protected]@H](S\C(CC2=CNC3=C2C(O)=CC=C3)=N\OS([O-])(=O)=O)C(O)[[email protected]@H](O)[[email protected]@H]1O	463.048660748	C₁₆H₁₉N₂O₁₀S₂	N-containing compounds	Glucosinolates	Publications	Show
4-Methoxyglucobrassicin	COC1=CC=CC2=C1C(C\C(S[[email protected]@H]1OC(CO)[[email protected]@H](O)[[email protected]](O)C1O)=N/OS([O-])(=O)=O)=CN2	477.064310812	C₁₇H₂₁N₂O₁₀S₂	N-containing compounds	Glucosinolates	Publications	Show
Glucoraphanin	CS(=O)CCCC\C(S[[email protected]@H]1OC(CO)[[email protected]@H](O)[[email protected]](O)C1O)=N/OS([O-])(=O)=O	436.041133014	C₁₂H₂₂NO₁₀S₃	N-containing compounds	Glucosinolates	Publications	Show
Glucoalyssin	CS(=O)CCCCC\C(S[[email protected]@H]1OC(CO)[[email protected]@H](O)[[email protected]](O)C1O)=N/OS([O-])(=O)=O	450.056783079	C₁₃H₂₄NO₁₀S₃	N-containing compounds	Glucosinolates	Publications	Show
Gluconapin	OCC1O[[email protected]@H](S\C(CCC=C)=N\OS([O-])(=O)=O)C(O)[[email protected]@H](O)[[email protected]@H]1O	372.042847092	C₁₁H₁₈NO₉S₂	N-containing compounds	Glucosinolates	Publications	Show
Glucobrassicin	OCC1O[[email protected]@H](S\C(CC2=CNC3=C2C=CC=C3)=N\OS([O-])(=O)=O)C(O)[[email protected]@H](O)[[email protected]@H]1O	447.053746128	C₁₆H₁₉N₂O₉S₂	N-containing compounds	Glucosinolates	Publications	Show
Sulforaphane-N-acetyl-L-cysteine	CC(=O)NC(CSC(=S)NCCCCS(C)=O)C(O)=O	340.058520654	C₁₁H₂₀N₂O₄S₃	N-containing compounds	Isothiocyanates	Publications	Show
3,3′-Diindolylmethane	C(C1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12	246.115698459	C₁₇H₁₄N₂	N-containing compounds	Not Available	Publications	Show
Sulforaphene	CS(=O)\C=C\CCN=C=S	175.012556262	C₆H₉NOS₂	N-containing compounds	Isothiocyanates	Publications	Show
Phylloquinone	CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O	450.349780721	C₃₁H₄₆O₂	Terpenoids	Diterpenoids	Publications	Show
Iberin	CS(=O)CCCN=C=S	163.012556262	C₅H₉NOS₂	N-containing compounds	Isothiocyanates	Publications	Show
Iberin N-acetyl-cysteine	[H][[email protected]@](CSC(S)=NCCCS(C)=O)(N=C(C)O)C(O)=O	326.04287059	C₁₀H₁₈N₂O₄S₃	N-containing compounds	Isothiocyanates	Publications	Show
Indole-3-carbinol	OCC1=CNC2=CC=CC=C12	147.068413914	C₉H₉NO	N-containing compounds	Isothiocyanates	Publications	Show
N-acetyl-S-(N-3-methylthiopropyl)cysteine			C₁₀H₁₈N₂O₃S₃	N-containing compounds	Isothiocyanates	Publications	Show
2-thiothiazolidine-4-carboxylic acid	[H][[email protected]]1(CSC(S)=N1)C(O)=O	162.976170753	C₄H₅NO₂S₂	N-containing compounds	Glucosinolates	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
p-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Catechol	OC1=C(O)C=CC=C1	110.036779433	C₆H₆O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC(O)=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3',4'-Dihydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.052429498	C₈H₈O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079562	C₉H₁₀O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Caffeic acid sulfoglucuronide		436.3485242	C₁₅H₁₆O₁₃S	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O[[email protected]]2O[[email protected]]([[email protected]](O)[[email protected]](O)[[email protected]@H]2O)C(O)=O)C=C1)C(O)=O	370.08999678	C₁₆H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	Polyphenols	Phenolic acids	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372523	C₁₂H₁₃NO₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hydroxybenzoic acid		138.1230293	C₇H₆O₃	Polyphenols	Phenolic acids	Show
α-hydroxyhippuric acid	OC(NC(=O)C1=CC=CC=C1)C(O)=O	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxyphenylpropionic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Vanilloyl-glycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722458	C₁₀H₁₁NO₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3'-O-glucuronide	O[[email protected]]1[[email protected]](O)[[email protected]@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[[email protected]]([[email protected]@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-O-glucuronide	COC1=C(O[[email protected]@H]2O[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1	370.08999678	C₁₆H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroisoferulic acid	COC1=C(O)C=C(CCC(O)=O)C=C1	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroisoferulic acid-3'-glucuronide	CC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(CCC(O)=O)C=C1	356.110732224	C₁₆H₂₀O₉	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-O-glucuronide	COC1=C(O[[email protected]@H]2O[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]2O)C(O)=O)C=CC(CCC(O)=O)=C1	372.105646844	C₁₆H₂₀O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1	276.0303739	C₁₀H₁₂O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxymandelic acid	OC(C(O)=O)C1=CC=C(O)C=C1	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3-sulfate	OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Caffeic acid 3'-sulfate	OC(=O)\C=C\C1=CC(OS(O)(=O)=O)=C(O)C=C1	259.999073772	C₉H₈O₇S	Polyphenols	Polyphenol metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1	232.976147255	C₇H₅O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	OC(=O)CCC1=CC=C(O)C(OS([O-])(=O)=O)=C1	261.007447384	C₉H₉O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
caffeic acid-3'-O-glucuronide	OC1C(OC2=C(O)C=CC(\C=C\C(O)=O)=C2)OC(C(O)C1O)C(O)=O	356.074346715	C₁₅H₁₆O₁₀		Not Available	Show
caffeic acid-4'-O-glucuronide	OC1C(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)OC(C(O)C1O)C(O)=O	356.074346715	C₁₅H₁₆O₁₀		Not Available	Show
caffeic acid-4-O-sulfate	OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1	259.999073772	C₉H₈O₇S		Not Available	Show
3'-Methoxy-4'-hydroxyphenylacetic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxybenzoic acid-4-sulfate	OC(=O)CC1=CC(O)=C(OS(O)(=O)=O)C=C1	247.999073772	C₈H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Retinal	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O	284.214015522	C₂₀H₂₈O	Terpenoids	Carotenoids	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid-3'-glucuronide	O[[email protected]]1[[email protected]](OC2=CC(\C=C\C(O)=O)=CC=C2)O[[email protected]@H]([[email protected]@H](O)[[email protected]]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3'-O-glucuronide	O[[email protected]]1[[email protected]](O)[[email protected]@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[[email protected]]([[email protected]@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-4'-O-glucuronide	O[[email protected]@H]1[[email protected]@H](O)C(OC2=C(O)C=C(CCC(O)=O)C=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-4'-sulfate	OC(=O)CCC1=CC(O)=C(OS(O)(=O)=O)C=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
p-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079562	C₉H₁₀O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O[[email protected]]2O[[email protected]]([[email protected]](O)[[email protected]](O)[[email protected]@H]2O)C(O)=O)C=C1)C(O)=O	370.08999678	C₁₆H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	Polyphenols	Phenolic acids	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372523	C₁₂H₁₃NO₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Vanilloyl-glycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722458	C₁₀H₁₁NO₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
veratric acid	COC1=C(OC)C=C(C=C1)C(O)=O	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Kaempferol 3-glucuronide	O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O	462.07982602	C₂₁H₁₈O₁₂	Polyphenols	Flavonoids	Show
Myricetin 3-O-glucuronide	O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	Polyphenols	Flavonoids	Show
Myricetin 5-O-glucuronide	O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	Polyphenols	Flavonoids	Show
Myricetin 7-O-glucuronide	O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	Polyphenols	Flavonoids	Show
Phylloquinone	CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O	450.349780721	C₃₁H₄₆O₂	Terpenoids	Diterpenoids	Show
2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone	CC(CCC(O)=O)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O	298.12050906	C₁₈H₁₈O₄	Terpenoid metabolites	Diterpenoid metabolites	Show
2-methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinone	CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O	272.104858995	C₁₆H₁₆O₄	Terpenoid metabolites	Diterpenoid metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Ethylphenol	CCC1=CC=C(O)C=C1	122.073164942	C₈H₁₀O	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Homovanillic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isorhamnetin	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	316.058302726	C₁₆H₁₂O₇	Polyphenols	Flavonoids	Show
Isorhamnetin 3-O-glucuronide	[H][[email protected]@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[[email protected]]([H])(C(O)=O)[[email protected]@]([H])(O)[[email protected]]([H])(O)[[email protected]@]1([H])O	492.090390704	C₂₂H₂₀O₁₃	Polyphenols	Flavonoids	Show
Quercetin 3-O-glucuronide	OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloroglucinol	OC1=CC(O)=CC(O)=C1	126.031694053	C₆H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
2,4,6-Trihydroxybenzoic acid	OC(=O)C1=C(O)C=C(O)C=C1O	170.021523293	C₇H₆O₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
2-Methoxyphenylacetic acid	COC1=CC=CC=C1CC(O)=O	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Ethylbenzoic acid	CCC1=CC=C(C=C1)C(O)=O	150.068079562	C₉H₁₀O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isorhamnetin 7-O-glucuronide	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	492.090390704	C₂₂H₂₀O₁₃	Polyphenols	Flavonoids	Show
Quercetin 3'-O-glucuronide	O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=C(O)C=CC(=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[[email protected]@H]([[email protected]]1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin 4'-O-glucuronide	OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin 7-O-glucuronide	O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C=C3)=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin glucuronide		478.3663081	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Quercetin diglucuronide			C₂₇H₂₆O₁₉	Polyphenols	Flavonoids	Show
Methylquercetin diglucuronide			C₂₈H₂₈O₁₉	Polyphenols	Flavonoids	Show
Quercetin glucuronide sulfate			C₂₁H₁₈O₁₆S	Polyphenols	Flavonoids	Show
Isorhamnetin 4'-O-glucuronide	COC1=C(O[[email protected]@H]2O[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	492.090390704	C₂₂H₂₀O₁₃	Polyphenols	Flavonoids	Show
Quercetin 3'-O-sulfate	OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1	381.999467696	C₁₅H₁₀O₁₀S	Polyphenols	Flavonoids	Show
Quercetin sulfate			C₁₅H₁₀O₁₀S	Polyphenols	Flavonoids	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Quercetin 7-O-sulfate	OC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1	381.999467696	C₁₅H₁₀O₁₀S	Polyphenols	Polyphenol metabolites	Show
Enterodiol	OC[[email protected]](CC1=CC(O)=CC=C1)[[email protected]](CO)CC1=CC(O)=CC=C1	302.151809188	C₁₈H₂₂O₄	Polyphenols	Lignans	Show
Enterolactone	OC1=CC=CC(C[[email protected]@H]2COC(=O)[[email protected]]2CC2=CC(O)=CC=C2)=C1	298.12050906	C₁₈H₁₈O₄	Polyphenols	Lignans	Show
Xanthurenic acid	OC(=O)C1=CC(O)=C2C=CC=C(O)C2=N1	205.037507709	C₁₀H₇NO₄	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Show

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