PhytoHub: Showing entry for Blackberry

Blackberry

Group:: Fruit, Berries

Identification

Name: Blackberry
ID: 157
Food group: Fruit, Berries

Synonyms

No Synonyms

External Links

No external links

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Coumaric acid (m-)	OC(=O)\C=C\C1=CC(O)=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
(-)-Epicatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	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
Cyanidin 3-O-glucoside	OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O	449.107837916	C₂₁H₂₁O₁₁	Polyphenols	Flavonoids	Publications	Show
Ellagic acid	OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O	302.006267153	C₁₄H₆O₈	Polyphenols	Phenolic acids	Publications	Show
Cyanidin 3-O-(6''-dioxalyl-glucoside)	OC1C(O)C(COC(=O)C(=O)OC(=O)C([O-])=O)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C1O	592.070049184	C₂₅H₂₀O₁₇	Polyphenols	Flavonoids	Publications	Show
Cyanidin 3-O-xyloside	OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H]1O	419.097273232	C₂₀H₁₉O₁₀	Polyphenols	Flavonoids	Publications	Show
Cyanidin 3-O-rutinoside	CC1O[C@H](OCC2O[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O	595.165746718	C₂₇H₃₁O₁₅	Polyphenols	Flavonoids	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
Gallic acid	OC(=O)C1=CC(O)=C(O)C(O)=C1	170.021523293	C₇H₆O₅	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
Cyanidin 3-O-(6''-malonyl-glucoside)	O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)OC(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O	549.088593556	C₂₄H₂₁O₁₅	Polyphenols	Flavonoids	Publications	Show
Quercetin 3-O-galactoside	OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	464.095476084	C₂₁H₂₀O₁₂	Polyphenols	Flavonoids	Publications	Show
Rutin	C[C@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	610.153384886	C₂₇H₃₀O₁₆	Polyphenols	Flavonoids	Publications	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Publications	Show
Quercetin 3-O-xylosyl-glucuronide	OC[C@H]1O[C@@H](OC(=O)[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	610.116999377	C₂₆H₂₆O₁₇	Polyphenols	Flavonoids	Publications	Show
Quercetin 3-O-xyloside	O[C@H]1COC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H]1O	434.0849114	C₂₀H₁₈O₁₁	Polyphenols	Flavonoids	Publications	Show
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
4-Hydroxybenzoic acid 4-O-glucoside	OCC1OC(OC2=CC=C(C=C2)C(O)=O)C(O)C(O)C1O	300.084517475	C₁₃H₁₆O₈	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
Procyanidin dimer B2	[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC(O)=C(O)C=C1	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
(+)-Catechin	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Isoquercitrin	OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	464.095476084	C₂₁H₂₀O₁₂	Polyphenols	Flavonoids	Publications	Show
Sanguiin H-6	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	1870.158111979	C₈₂H₅₄O₅₂	Polyphenols	Ellagitannins	Publications	Show
Potentillin	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	936.086881022	C₄₁H₂₈O₂₆	Polyphenols	Ellagitannins	Publications	Show
Pedunculagin	CC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	782.096657857	C₃₅H₂₆O₂₁	Polyphenols	Ellagitannins	Publications	Show
Lambertianin C	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C(OC7=CC(=CC(O)=C7O)C(=O)OC7OC8COC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C=C9C(=O)OC8C8OC(=O)C9=CC(O)=C(O)C(O)=C9C9=C(O)C(O)=C(O)C=C9C(=O)OC78)=C6C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	2804.229342936	C₁₂₃H₈₀O₇₈	Polyphenols	Ellagitannins	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
(-)-Epicatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
(-)-Epicatechin 3'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 3'-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OS(O)(=O)=O)=C(O)C=C1	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 4'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 4'-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(OS(O)(=O)=O)C=C1	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 5-O-sulfate	[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(OC1C(O)OC(C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin glucuronide		466.3989068	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin sulfoglucuronide		546.4612115	C₂₁H₂₂O₁₅S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol	OC(CC1=CC(O)=C(O)C=C1)CC1=C(O)C=C(O)C=C1O	292.094688235	C₁₅H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	(Poly)phenol metabolites	Flavonoid 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
3'-O-Methyl-(-)-epicatechin 4'-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(OC)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294311	C₁₁H₁₄O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methyl-(-)-epicatechin sulfate		384.3623408	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methyl-(-)-epicatechin sulfoglucuronide		560.4882003	C₂₂H₂₄O₁₅S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.052429498	C₈H₈O₂	(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
5-(3'-Hydroxyphenyl)-gamma-valerolactone	OC1=CC=CC(CC2CCC(=O)O2)=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
3-(3'-Hydroxyphenyl)hydracrylic acid	OC(CC(O)=O)C1=CC(O)=CC=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
(-)-Epicatechin-5-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide	COC1=CC(=CC=C1O)[C@H]1OC2=CC(O)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2C[C@H]1O	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide	OC(CCC(O)=O)CC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=C1	402.116211528	C₁₇H₂₂O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin-7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-epicatechin	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	304.094688235	C₁₆H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide	COC1=CC(CC(O)CCC(O)=O)=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O	416.131861593	C₁₈H₂₄O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid	OC(CCC(O)=O)CC1=CC=CC(O)=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1	290.046023965	C₁₁H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-gamma-valerolactone-3'-sulfate	OS(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1	272.03545928	C₁₁H₁₂O₆S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS(O)(=O)=O)=C1	233.983423707	C₇H₆O₇S	(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	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide	OC1C(O)C(OC2=CC=C(CC3CCC(=O)O3)C=C2O)OC(C1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate	OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1OS(O)(=O)=O	288.0303739	C₁₁H₁₂O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-Methyl-epicatechin-7-O-glucuronide	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=C(O)C=C1	306.040938585	C₁₁H₁₄O₈S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)-γ-valerolactone	OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate	OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O	288.0303739	C₁₁H₁₂O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
(−)-Epicatechin-7-sulfate	O[C@@H]1CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3′-Methoxy-(−)-epicatechin-7-glucuronide	[H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-sulfate-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
Dihydroxyphenylacetic acid-sulfate				(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(Phenyl)-γ-valerolactone-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Hydroxyphenyl)-γ-valerolactone-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-3′,5′-disulfate	OS(=O)(=O)OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1	367.987188934	C₁₁H₁₂O₁₀S₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-4',5'-disulfate	OS(=O)(=O)OC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1	367.987188934	C₁₁H₁₂O₁₀S₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-methoxy-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Dihydroxyphenyl)-γ-valerolactone-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Hydroxyphenyl)-γ-valerolactone-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-methoxy-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-4′-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-3′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2)OC([C@H]1O)C(O)=O	368.110732224	C₁₇H₂₀O₉	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate	OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1	288.0303739	C₁₁H₁₂O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2)OC([C@H]1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate	COC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1	302.046023965	C₁₂H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate	COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1OS(O)(=O)=O	302.046023965	C₁₂H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1	290.046023965	C₁₁H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-Methoxy-(−)-epicatechin-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C[C@H]3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone	OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(−)-epicatechin-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide	O[C@H](CCC(O)=O)CC1=CC=C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1	402.116211528	C₁₇H₂₂O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-valeric acid-sulfate-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
3′-Methoxy-(−)-epicatechin-5′-glucuronide	[H][C@@]1(O)CC2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
4′-methoxy-(−)-epicatechin-7-β-D-glucuronide	[H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(+)-Catechin	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-Methoxy-(+)-catechin	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@@H]1O)C(O)=CC(O)=C2	304.094688235	C₁₆H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
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
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	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	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	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Catechol	OC1=C(O)C=CC=C1	110.036779433	C₆H₆O₂	Polyphenols	Miscellaneous polyphenols	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	Polyphenols	Phenolic acids	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	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	(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[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@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	(Poly)phenol metabolites	Phenolic acid metabolites	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	(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
Dihydrocaffeic acid-3'-O-glucuronide	O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@H]([C@@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[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]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	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(CCC(O)=O)C=C1	372.105646844	C₁₆H₂₀O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]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	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS(O)(=O)=O)=C1	233.983423707	C₇H₆O₇S	(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	262.014723836	C₉H₁₀O₇S	(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	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Phenolic acid metabolites	Show
caffeic acid-4-O-sulfate	OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1	259.999073772	C₉H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	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
Caffeic acid sulfate				(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
Coumaric acid-3'-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C(O)=O)=CC=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	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
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079562	C₉H₁₀O₂	(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
Coumaric acid-4'-O-glucuronide	O[C@H]1[C@H](OC2=CC=C(\C=C\C(O)=O)C=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid-4'-sulfate	OC(=O)\C=C\C1=CC=C(OS(O)(=O)=O)C=C1	244.004159152	C₉H₈O₆S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid sulfoglucuronide (p-)		420.3492191	C₁₅H₁₆O₁₂S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Cyanidin 3-O-(6''-malonyl-glucoside)	O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)OC(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O	549.088593556	C₂₄H₂₁O₁₅	Polyphenols	Flavonoids	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
Cyanidin 3-O-glucoside	OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O	449.107837916	C₂₁H₂₁O₁₁	Polyphenols	Flavonoids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
p-Hydroxybenzaldehyde	OC1=CC=C(C=O)C=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-(1-Carboxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	314.063782031	C₁₃H₁₄O₉	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Peonidin 3-glucoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	463.123487981	C₂₂H₂₃O₁₁	Polyphenols	Flavonoids	Show
2-Hydroxy-4-methoxybenzoic acid	COC1=CC(O)=C(C=C1)C(O)=O	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechualdehyde	OC1=CC=C(C=O)C=C1O	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Methoxybenzaldehyde	COC1=CC=C(C=O)C=C1	136.052429498	C₈H₈O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Cyanidin 3-glucoside glucuronide		639.5444741	C₂₈H₃₁O₁₇	(Poly)phenol metabolites	Flavonoid metabolites	Show
Cyanidin glucuronide		477.4019678	C₂₂H₂₁O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isopeonidin 3-glucoside	COC1=C(O)C=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	463.123487981	C₂₂H₂₃O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isopeonidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isovanillic acid	COC1=CC=C(C=C1O)C(O)=O	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isovanillic acid-3-O-glucuronide	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C(O)=O	344.074346715	C₁₄H₁₆O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isovanillic acid-3-O-sulfate	COC1=C(OS(O)(=O)=O)C=C(C=C1)C(O)=O	247.999073772	C₈H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Methyl-3,4-dihydroxybenzoate	COC(=O)C1=CC=C(O)C(O)=C1	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Methylcyanidin 3-glucoside-glucuronide		653.5714628	C₂₉H₃₃O₁₇	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylcyanidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylvanillate	COC(=O)C1=CC(OC)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Miscellaneous polyphenol metabolites	Show
Peonidin 3-glucoside glucuronide		653.5714628	C₂₉H₃₃O₁₇	(Poly)phenol metabolites	Flavonoid metabolites	Show
Peonidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Phloroglucinaldehyde	OC1=CC(O)=C(C=O)C(O)=C1	154.026608673	C₇H₆O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechuic acid-3-O-glucuronide	OC1C(O)C(OC2=C(O)C=CC(=C2)C(O)=O)OC(C1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechuic acid-3-O-sulfate	OC(=O)C1=CC(OS(O)(=O)=O)=C(O)C=C1	233.983423707	C₇H₆O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechuic acid-4-O-glucuronide	OC1C(O)C(OC2=C(O)C=C(C=C2)C(O)=O)OC(C1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechuic acid-4-O-sulfate	OC(=O)C1=CC(O)=C(OS(O)(=O)=O)C=C1	233.983423707	C₇H₆O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Vanillic acid 4-O-glucuronide	COC1=CC=C(C=C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	344.074346715	C₁₄H₁₆O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Vanillic acid-4-O-sulfate	COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)=O	247.999073772	C₈H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Cyanidin 3-O-rutinoside	CC1O[C@H](OCC2O[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O	595.165746718	C₂₇H₃₁O₁₅	Polyphenols	Flavonoids	Show
Isopeonidin 3-rutinoside	[H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(OC)C(O)=C1	609.181396783	C₂₈H₃₃O₁₅	(Poly)phenol metabolites	Flavonoid metabolites	Show
Peonidin 3-rutinoside	[H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(O)C(OC)=C1	609.181396783	C₂₈H₃₃O₁₅	Polyphenols	Flavonoids	Show
Urolithin B-3-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=CC=CC=C2C(=O)O3)O[C@@H]([C@H]1O)C(O)=O	388.079432095	C₁₉H₁₆O₉	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin C	OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2	244.037173358	C₁₃H₈O₅	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin C-3-glucuronide	OC1C(O)C(OC2=CC3=C(C=C2)C2=CC(O)=C(O)C=C2C(=O)O3)OC(C1O)C(O)=O	420.069261335	C₁₉H₁₆O₁₁	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin D	OC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=O	260.032087978	C₁₃H₈O₆	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin D glucuronide				(Poly)phenol metabolites	Ellagitannin metabolites	Show
Isourolithin A	OC1=CC2=C(C=C1)C1=C(C=CC(O)=C1)C(=O)O2	228.042258738	C₁₃H₈O₄	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Isourolithin A-3-glucuronide	OC1C(O)C(OC2=CC3=C(C=C2)C2=C(C=CC(O)=C2)C(=O)O3)OC(C1O)C(O)=O	404.074346715	C₁₉H₁₆O₁₀	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin M6	OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1O)C(=O)O2	260.032087978	C₁₃H₈O₆	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin M6R	OC1=CC=CC2=C1OC(=O)C1=C2C(O)=C(O)C(O)=C1	260.032087978	C₁₃H₈O₆	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin M7	OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1O)C(=O)O2	244.037173358	C₁₃H₈O₅	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin CR	OC1=CC2=C(C=C1O)C1=C(OC2=O)C(O)=CC=C1	244.037173358	C₁₃H₈O₅	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin M7R	OC1=CC2=C(C(O)=C1)C1=C(OC2=O)C(O)=CC=C1	244.037173358	C₁₃H₈O₅	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin AR	OC1=CC2=C(C=C1)C1=C(OC2=O)C(O)=CC=C1	228.042258738	C₁₃H₈O₄	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin M5	OC1=CC2=C(C(O)=C1O)C1=C(OC2=O)C(O)=C(O)C=C1	276.027002598	C₁₃H₈O₇	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin A-3-sulfate	OC1=CC2=C(C=C1)C1=C(OC2=O)C=C(OS(O)(=O)=O)C=C1	307.999073772	C₁₃H₈O₇S	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin B-sulfate				(Poly)phenol metabolites	Ellagitannin metabolites	Show
Isourolithin A-9-glucuronide			C₁₉H₁₆O₁₀	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Ellagic acid	OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O	302.006267153	C₁₄H₆O₈	Polyphenols	Phenolic acids	Show
Urolithin A	OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2	228.042258738	C₁₃H₈O₄	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin A-3-glucuronide	OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O	404.074346715	C₁₉H₁₆O₁₀	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin A-8-O-glucuronide	O[C@H]1[C@H](O)[C@@H](OC2=CC=C3C(OC(=O)C4=C3C=CC(O)=C4)=C2)O[C@H]([C@@H]1O)C(O)=O	404.074346715	C₁₉H₁₆O₁₀	(Poly)phenol metabolites	Ellagitannin metabolites	Show
Urolithin B	OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2	212.047344118	C₁₃H₈O₃	(Poly)phenol metabolites	Ellagitannin 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	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	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[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@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	(Poly)phenol metabolites	Phenolic acid metabolites	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
Sinapic acid-O-sulfate	COC1=CC(\C=C\C(=O)OS(O)(=O)=O)=CC(OC)=C1O	304.02528852	C₁₁H₁₂O₈S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]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
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
Ferulic acid glucuronide				(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoquercitrin	OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	464.095476084	C₂₁H₂₀O₁₂	Polyphenols	Flavonoids	Show
Quercetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1	302.042652662	C₁₅H₁₀O₇	Polyphenols	Flavonoids	Show
Myricetin 3-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
Myricetin 5-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
Myricetin 7-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)O[C@@H]([C@H]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
Ellagic acid	OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O	302.006267153	C₁₄H₆O₈	Polyphenols	Phenolic acids	Show
(-)-Epicatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
Procyanidin dimer B2	[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC(O)=C(O)C=C1	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Show
1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol	OC(CC1=CC(O)=C(O)C=C1)CC1=C(O)C=C(O)C=C1O	292.094688235	C₁₅H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	(Poly)phenol metabolites	Flavonoid 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
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294311	C₁₁H₁₄O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.052429498	C₈H₈O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
(Epi)catechin	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-valerolactone	OC1=CC=CC(CC2CCC(=O)O2)=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Hydroxyprocyanidin B2		594.5294478	C₃₀H₂₆O₁₃	(Poly)phenol metabolites	Flavonoid 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	Polyphenols	Phenolic acids	Show
4-Ethylphenol	CCC1=CC=C(O)C=C1	122.073164942	C₈H₁₀O	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Homovanillic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	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][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	492.090390704	C₂₂H₂₀O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isorhamnetin 4'-O-glucoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	478.111126148	C₂₂H₂₂O₁₂	Polyphenols	Flavonoids	Show
Quercetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1	302.042652662	C₁₅H₁₀O₇	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin 3'-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin 7-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C=C3)=C2)O[C@@H]([C@H]1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin glucuronide		478.3663081	C₂₁H₁₈O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Tamarixetin	COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	318.073952791	C₁₆H₁₄O₇	(Poly)phenol metabolites	Flavonoid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylquercetin diglucuronide			C₂₈H₂₈O₁₉	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin sulfo-glucuronide			C₂₁H₁₈O₁₆S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isorhamnetin 4'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	492.090390704	C₂₂H₂₀O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin sulfate			C₁₅H₁₀O₁₀S	(Poly)phenol metabolites	Flavonoid 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
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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Resorcinol glucuronide	[H][C@@]1(OC2=CC(O)=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	286.068867411	C₁₂H₁₄O₈	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Homovanillic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Quercetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1	302.042652662	C₁₅H₁₀O₇	Polyphenols	Flavonoids	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344118	C₈H₈O₃	(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
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ellagic acid	OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O	302.006267153	C₁₄H₆O₈	Polyphenols	Phenolic acids	Show

Biomarkers of intake

No Biomarkers of intake found

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