PhytoHub: Showing entry for Apple

Apple

Group:: Fruit, Pomes

Identification

Name: Apple
ID: 7
Food group: Fruit, Pomes

Synonyms

pomme

External Links

ITIS: 25262
FooDB (Foods): 105
Wikidata: Q89
Wikipedia: Apple

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Carvomenthenol (4-)	CC(C)[C@]1(O)CCC(C)=CC1	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Damascenone-beta	C\C=C\C(=O)C1=C(C)C=CCC1(C)C	190.1357652	C₁₃H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Geranyl acetone	CC(C)=CCC\C(C)=C\CCC(C)=O	194.167065328	C₁₃H₂₂O	Terpenoids	Monoterpenoids	Publications	Show
Isoestragole	COC1=CC=C(\C=C\C)C=C1	148.088815006	C₁₀H₁₂O	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Publications	Show
Limonene	CC(=C)C1CCC(C)=CC1	136.125200515	C₁₀H₁₆	Terpenoids	Monoterpenoids	Publications	Show
Linalool	CC(C)=CCCC(C)(O)C=C	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Myrcene	CC(C)=CCCC(=C)C=C	136.125200515	C₁₀H₁₆	Terpenoids	Monoterpenoids	Publications	Show
Ocimene-beta	CC(=C)CC\C=C(/C)C=C	136.125200515	C₁₀H₁₆	Terpenoids	Monoterpenoids	Publications	Show
Farnesene-alpha	[H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Farnesene-beta	[H]C(CCC(=C)C=C)=C(C)CCC=C(C)C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Farnesol	CC(C)=CCCC(C)=CCCC(C)=CCO	222.198365457	C₁₅H₂₆O	Terpenoids	Sesquiterpenoids	Publications	Show
Himachalen-alpha	CC1=CC2C(CC1)C(=C)CCCC2(C)C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
2-alpha-hydroxy-3-beta-{[(2Z)-3-phenyl-1-oxo-2-propenyl]oxy}olean-12-en-28-oic acid	[H]C12CCC3(C)C(CC=C4C5CC(C)(C)CCC5(CCC34C)C(O)=O)C1(C)CC(O)C(OC(=O)\C=C/C1=CC=CC=C1)C2(C)C	602.397124839	C₃₉H₅₄O₅	Terpenoids	Triterpenoids	Publications	Show
Maslinic acid	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	472.355260026	C₃₀H₄₈O₄	Terpenoids	Triterpenoids	Publications	Show
Ursolic acid	[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	456.360345406	C₃₀H₄₈O₃	Terpenoids	Triterpenoids	Publications	Show
Ursolic acid (2-alpha-hydroxy-)	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O	472.355260026	C₃₀H₄₈O₄	Terpenoids	Triterpenoids	Publications	Show
Carotene 5,6-epoxide (beta-)	[H]C(=C([H])C(\[H])=C(\C)C([H])=C([H])C(\[H])=C(\C)/C(/[H])=C(\[H])C12OC1(C)CCCC2(C)C)C(\[H])=C(\C)/C(/[H])=C(\[H])/C(/[H])=C(/C)C([H])=C([H])C1=C(C)CCCC1(C)C	552.433116423	C₄₀H₅₆O	Terpenoids	Carotenoids	Publications	Show
Carotene-zeta	CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C	540.469501932	C₄₀H₆₀	Terpenoids	Carotenoids	Publications	Show
Neoxanthin	[H]C(=C=C1C(C)(C)C[C@]([H])(O)C[C@@]1(C)O)C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])[C@@]12O[C@]1(C)C[C@@]([H])(O)CC2(C)C	600.417860283	C₄₀H₅₆O₄	Terpenoids	Carotenoids	Publications	Show
Brassicasterol	CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	398.354866101	C₂₈H₄₆O	Terpenoids	Phytosterols	Publications	Show
Campesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C	400.370516166	C₂₈H₄₈O	Terpenoids	Phytosterols	Publications	Show
Sitosterol-beta	CC[C@H](CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	414.38616623	C₂₉H₅₀O	Terpenoids	Phytosterols	Publications	Show
Stigmasterol	CC[C@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]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
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
(-)-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
Phloridzin	OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	436.136946973	C₂₁H₂₄O₁₀	Polyphenols	Flavonoids	Publications	Show
Piceid (cis-)	[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Publications	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Publications	Show
Phloretin	OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1	274.084123551	C₁₅H₁₄O₅	Polyphenols	Flavonoids	Publications	Show
Procyanidin dimer B1	O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	578.142426277	C₃₀H₂₆O₁₂	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
Procyanidin trimer C1	[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C2O[C@@H]([C@H](O)[C@@]([H])(C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1	866.205814384	C₄₅H₃₈O₁₈	Polyphenols	Flavonoids	Publications	Show
4-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
3-p-Coumaroylquinic acid	OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O)C(O)=O	338.10016754	C₁₆H₁₈O₈	Polyphenols	Phenolic acids	Publications	Show
Cyanidin 3-O-galactoside	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
Cyanidin	OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1	287.055014494	C₁₅H₁₁O₆	Polyphenols	Flavonoids	Publications	Show
Gallic acid	OC(=O)C1=CC(O)=C(O)C(O)=C1	170.021523293	C₇H₆O₅	Polyphenols	Phenolic acids	Publications	Show
(+)-Gallocatechin 3-O-gallate	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1	458.0849114	C₂₂H₁₈O₁₁	Polyphenols	Flavonoids	Publications	Show
Coumaric acid (o-)	OC(=O)\C=C\C1=C(O)C=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Quinic acid	OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O	192.063388106	C₇H₁₂O₆	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Publications	Show
Quercetin 3-arabinoside	O[C@H]1COC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	434.0849114	C₂₀H₁₈O₁₁	Polyphenols	Flavonoids	Publications	Show
Quercitrin	C[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	448.100561464	C₂₁H₂₀O₁₁	Polyphenols	Flavonoids	Publications	Show
Phloretin 2'-xyloglucoside	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)[C@H](O)[C@H]1O	568.17920571	C₂₆H₃₂O₁₄	Polyphenols	Flavonoids	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 B7	OC1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	578.142426277	C₃₀H₂₆O₁₂	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
4-p-Coumaroylquinic acid	OC1CC(O)(CC(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O	338.10016754	C₁₆H₁₈O₈	Polyphenols	Phenolic acids	Publications	Show
Quercetin 3-O-arabinoside	O[C@H]1CO[C@@H](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
Coumaroylquinic acid (p-)	O[C@H]1CC(O)(C[C@H](O)C1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O	338.10016754	C₁₆H₁₈O₈	Polyphenols	Phenolic acids	Publications	Show
Procyanidin dimer B5	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
Syringic acid	COC1=CC(=CC(OC)=C1O)C(O)=O	198.052823422	C₉H₁₀O₅	Polyphenols	Phenolic acids	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
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
Luteolin	OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1	286.047738042	C₁₅H₁₀O₆	Polyphenols	Flavonoids	Publications	Show
3-Hydroxyphloridzin	[H][C@]1(CO)O[C@@]([H])(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O	452.131861593	C₂₁H₂₄O₁₁	Polyphenols	Flavonoids	Publications	Show
Rhamnitol	[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)CO	166.084123551	C₆H₁₄O₅	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Publications	Show
Xylose	[H][C@@]1(O)COC([H])(O)[C@]([H])(O)[C@@]1([H])O	150.052823422	C₅H₁₀O₅	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Publications	Show
3-O-p-Coumaroylquinic acid	OC1CC(O)(CC(OC(=O)\C=C/c2ccc(O)cc2)C1O)C(O)=O	338.10016754	C₁₆H₁₈O₈	Polyphenols	Phenolic acids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
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
(-)-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
(+)-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
(+)-Gallocatechin 3-O-gallate	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1	458.0849114	C₂₂H₁₈O₁₁	Polyphenols	Flavonoids	Show
4-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	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(\C=C\C(O)=O)C=C1	370.08999678	C₁₆H₁₈O₁₀	(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
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	OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1	287.055014494	C₁₅H₁₁O₆	Polyphenols	Flavonoids	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
Cyanidin glucuronide		477.4019678	C₂₂H₂₁O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylcyanidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Cyanidin-diglucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
Cyanidin-3-glucoside-disulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
Cyanidin-3-glucoside-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
Farnesal	CC(C)=CCCC(C)=CCCC(C)=CC=O	220.182715393	C₁₅H₂₄O	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
3,7-Dimethyl-2-octaen-1,8-dioic acid	CC(CCC\C(C)=C\C(O)=O)C(O)=O	200.104858995	C₁₀H₁₆O₄	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
3,7-Dimethyl-6-octaen-1,8-dioic acid	CC(CC\C=C(/C)C(O)=O)CC(O)=O	200.104858995	C₁₀H₁₆O₄	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
3,7-Dimethyl-2,7-decadien-1,10-dioic acid	C\C(CCC\C(C)=C\C(O)=O)=C/CC(O)=O	226.12050906	C₁₂H₁₈O₄	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
3,7-Dimethyl-octan-1,8-dioic acid	CC(CCCC(C)C(O)=O)CC(O)=O	202.12050906	C₁₀H₁₈O₄	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
3,7-Dimethyl-7-decaen-1,10-dioic acid	CC(CCC\C(C)=C\CC(O)=O)CC(O)=O	228.136159124	C₁₂H₂₀O₄	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Farnesol glucuronide	CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1OC(C(O)C(O)C1O)C(O)=O	398.230453435	C₂₁H₃₄O₇	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
12-Hydroxyfarnesol	C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CO	238.193280077	C₁₅H₂₆O₂	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Hydroxyfarnesol glucuronide		414.4973977	C₂₁H₃₄O₈	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Farnesoic acid	CC(C)=CCCC(C)=CCCC(C)=CC(O)=O	236.177630013	C₁₅H₂₄O₂	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Farnesyl monophosphate	CC(C)=CCC\C(C)=C/CC\C(C)=C/COP(O)(O)=O	302.164696347	C₁₅H₂₇O₄P	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Farnesyl pyrophosphate	[H]\C(CC\C(C)=C(/[H])COP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C	382.131027238	C₁₅H₂₈O₇P₂	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Hildebrand's acids	C\C(CC\C=C(/C)C(O)=O)=C/C(O)=O	198.089208931	C₁₀H₁₄O₄	Terpenoid metabolites	Monoterpenoid metabolites	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
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
Carvone	CC(=C)C1CC=C(C)C(=O)C1	150.104465071	C₁₀H₁₄O	Terpenoids	Monoterpenoids	Show
Perillyl alcohol	CC(=C)C1CCC(CO)=CC1	152.120115135	C₁₀H₁₆O	Terpenoid metabolites	Monoterpenoid metabolites	Show
Carveol	CC(=C)C1CC=C(C)C(O)C1	152.120115135	C₁₀H₁₆O	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-1,2-diol	CC(=C)C1CCC(C)(O)C(O)C1	170.13067982	C₁₀H₁₈O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-8,9-diol	CC1=CCC(CC1)C(C)(O)CO	170.13067982	C₁₀H₁₈O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-8,9-diol glucuronide	CC1=CCC(CC1)C(C)(O)COC1OC(C(O)C(O)C1O)C(O)=O	346.162767797	C₁₆H₂₆O₈	Terpenoids	Monoterpenoids	Show
Limonene-10-ol	CC1=CCC(CC1)C(=C)CO	152.120115135	C₁₀H₁₆O	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-10-ol-glucuronide	CC1=CCC(CC1)C(=C)COC1OC(C(O)C(O)C1O)C(O)=O	328.152203113	C₁₆H₂₄O₇	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillic acid	CC(=C)C1CCC(=CC1)C(O)=O	166.099379691	C₁₀H₁₄O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillic acid glucuronide	CC(=C)C1CCC(=CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O	342.131467668	C₁₆H₂₂O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillyl glycine	CC(=C)C1CCC(=CC1)C(\O)=N\CC(O)=O	223.120843411	C₁₂H₁₇NO₃	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillic acid-8,9-diol	CC(O)(CO)C1CCC(=CC1)C(O)=O	200.104858995	C₁₀H₁₆O₄	Terpenoid metabolites	Monoterpenoid metabolites	Show
Dihydroperillic acid (trans-)	CC(=C)[C@H]1CC[C@H](CC1)C(O)=O	168.115029755	C₁₀H₁₆O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Dihydroperillic acid (cis-)	CC(=C)[C@H]1CC[C@@H](CC1)C(O)=O	168.115029755	C₁₀H₁₆O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Dihydroperillic acid glucuronide (trans-)	CC(=C)[C@H]1CC[C@H](CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O	344.147117733	C₁₆H₂₄O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
Dihydroperillic acid glucuronide (cis-)	CC(=C)[C@H]1CC[C@@H](CC1)C(=O)OC1OC(O)C(O)C(O)C1C(O)=O	344.147117733	C₁₆H₂₄O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
p-mentha-1,8-dien-carboxylic-acid	CC1=CCC(CC1)C(=C)C(O)=O	166.099379691	C₁₀H₁₄O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-1,2-epoxide	CC(=C)C1CCC2(C)OC2C1	152.120115135	C₁₀H₁₆O	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-1,2-glycol	CC(=C)C1CCC(C)(O)C(O)C1	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Show
Limonene-8,9-epoxide	CC1=CCC(CC1)C1(C)CO1	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Show
dihydroxy-p-mentha-8-en-7-oic acid glucuronide	CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O	378.152597037	C₁₆H₂₆O₁₀	Terpenoid metabolites	Monoterpenoid metabolites	Show
8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronide	CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(=CC1)C(O)=O	376.136946973	C₁₆H₂₄O₁₀	Terpenoid metabolites	Monoterpenoid metabolites	Show
hydroxy-p-menthan-7-oic acid	CC(C)C1CCC(C(O)C1)C(O)=O	186.12559444	C₁₀H₁₈O₃	Terpenoid metabolites	Monoterpenoid metabolites	Show
hydroxy-p-menthan-7-oic acid glucuronide	CC(C)C1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	362.157682417	C₁₆H₂₆O₉	Terpenoid metabolites	Monoterpenoid metabolites	Show
hydroxy-p-menth-8-en-7-oic acid glucuronide I	CC(=C)C1CCC(C(O)C1)C(=O)OC1C(O)OC(C(O)C1O)C(O)=O	360.142032353	C₁₆H₂₄O₉	Terpenoid metabolites	Monoterpenoid metabolites	Show
hydroxy-p-menth-8-en-7-oic acid glucuronide II	CC(=C)C1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	360.142032353	C₁₆H₂₄O₉	Terpenoid metabolites	Monoterpenoid metabolites	Show
hydroxy-p-menth-8-en-7-oic acid glycine I	CC(=C)C1CCC(C(O)C1)C(=O)NC(O)=O	227.115758031	C₁₁H₁₇NO₄	Terpenoid metabolites	Monoterpenoid metabolites	Show
hydroxy-p-menth-8-en-7-oic acid glycine II	CC(=C)C1CCC(C(C1)NCC(O)=O)C(O)=O	241.131408096	C₁₂H₁₉NO₄	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillic acid sulfate	CC(=C)C1CCC(=CC1)C(=O)OS(O)(=O)=O	246.056194725	C₁₀H₁₄O₅S	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-1,2-diol glucuronide I	CC(=C)C1CCC(C)(O)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O	346.162767797	C₁₆H₂₆O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-1,2-diol glucuronide II	CC(=C)C1CCC(C)(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1	346.162767797	C₁₆H₂₆O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-8,9-diol glucuronide I	CC1=CCC(CC1)C(C)(CO)OC1OC(C(O)C(O)C1O)C(O)=O	346.162767797	C₁₆H₂₆O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-8,9-diol glucuronide II	CC1=CCC(CC1)C(C)(O)COC1OC(C(O)C(O)C1O)C(O)=O	346.162767797	C₁₆H₂₆O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
8,9-dihydroxy-p-menthan-7-oic acid	CC(O)(CO)C1CCC(CC1)C(O)=O	202.12050906	C₁₀H₁₈O₄	Terpenoid metabolites	Monoterpenoid metabolites	Show
8,9-dihydroxy-p-menthan-7-oic acid glucuronide	CC(O)(COC1OC(C(O)C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O	378.152597037	C₁₆H₂₆O₁₀	Terpenoid metabolites	Monoterpenoid metabolites	Show
8,9-dihydroxy-p-menthan-7-oic acid glucuronide II	CC(CO)(OC1OC(C(O)C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O	378.152597037	C₁₆H₂₆O₁₀	Terpenoid metabolites	Monoterpenoid metabolites	Show
8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	CC(O)(CO)C1CCC(CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O	378.152597037	C₁₆H₂₆O₁₀	Terpenoid metabolites	Monoterpenoid metabolites	Show
8,9-epoxy-p-menth-1ene	CC1=CCC(CC1)C1(C)CO1	152.120115135	C₁₀H₁₆O	Terpenoid metabolites	Monoterpenoid metabolites	Show
Dihydrocarveol glucuronide	CC1CCC(CC1OC1OC(C(O)C(O)C1O)C(O)=O)C(C)=C	330.167853177	C₁₆H₂₆O₇	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillyl-beta-D-glucuronide	CC(=C)C1CCC(CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC1	328.152203113	C₁₆H₂₄O₇	Terpenoid metabolites	Monoterpenoid metabolites	Show
p-menth-2,8-dien-1-ol	CC(=C)C1CCC(C)(O)C=C1	152.120115135	C₁₀H₁₆O	Terpenoid metabolites	Monoterpenoid metabolites	Show
dihydroperillic acid methyl ester	COC(=O)C1CCC(CC1)C(C)=C	182.13067982	C₁₁H₁₈O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
perillic acid methyl ester	COC(=O)C1=CCC(CC1)C(C)=C	180.115029755	C₁₁H₁₆O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Perillic acid-8,9-diol glucuronide	CC(O)(CO)C1CCC(=CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O	376.136946973	C₁₆H₂₄O₁₀	Terpenoid metabolites	Monoterpenoid metabolites	Show
Luteolin-3'-O-Sulfate	OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1	366.004553076	C₁₅H₁₀O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-methyl-luteolin-7-O-Glucuronide	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(OC)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	476.095476084	C₂₂H₂₀O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-methyl-luteolin-3'-O-b-D-Glucuronide	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	476.095476084	C₂₂H₂₀O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-methyl-luteolin-7-O-Glucuronide	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	476.095476084	C₂₂H₂₀O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Luteolin-3-glucuronide	OC1C(O)C(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	462.07982602	C₂₁H₁₈O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Luteolin-4-glucuronide	OC1C(O)C(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	462.07982602	C₂₁H₁₈O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Luteolin 7-O-glucuronide	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	462.07982602	C₂₁H₁₈O₁₂	Polyphenols	Flavonoids	Show
Luteolin	OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1	286.047738042	C₁₅H₁₀O₆	Polyphenols	Flavonoids	Show
Chrysoeriol	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1	300.063388106	C₁₆H₁₂O₆	Polyphenols	Flavonoids	Show
Maslinic acid	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	472.355260026	C₃₀H₄₈O₄	Terpenoids	Triterpenoids	Show
Limonene	CC(=C)C1CCC(C)=CC1	136.125200515	C₁₀H₁₆	Terpenoids	Monoterpenoids	Show
Limonene-8,9-diol	CC1=CCC(CC1)C(C)(O)CO	170.13067982	C₁₀H₁₈O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Myrcene-3(10)-glycol	CC(C)=CCCC(O)(CO)C=C	170.13067982	C₁₀H₁₈O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Myrcene (3-Hydroxy, 10-carboxylic acid)	CC(C)=CCCC(O)(C=C)C(O)=O	184.109944375	C₁₀H₁₆O₃	Terpenoid metabolites	Monoterpenoid metabolites	Show
Myrcene-1,2-glycol	CC(C)=CCCC(=C)C(O)CO	170.13067982	C₁₀H₁₈O₂	Terpenoid metabolites	Monoterpenoid metabolites	Show
Myrcene (2-hydroxy, 1-carboxylic acid)	CC(C)=CCCC(=C)C(O)C(O)=O	184.109944375	C₁₀H₁₆O₃	Terpenoid metabolites	Monoterpenoid metabolites	Show
Phloretin	OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1	274.084123551	C₁₅H₁₄O₅	Polyphenols	Flavonoids	Show
Phloretin-2'-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O	450.116211528	C₂₁H₂₂O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
Phloridzin	OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	436.136946973	C₂₁H₂₄O₁₀	Polyphenols	Flavonoids	Show
Phloretin	OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1	274.084123551	C₁₅H₁₄O₅	Polyphenols	Flavonoids	Show
Piceid (cis-)	[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Resveratrol (cis-)	[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Piceid (cis-)	[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Dihydro-resveratrol	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1	230.094294311	C₁₄H₁₄O₃	Polyphenols	Stilbenes	Show
trans-Resveratrol 3-O-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol 3-O-sulfate	OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol-3-O-glucuronide	[H]\C(=C(\[H])C1=CC(O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-resveratrol-5-O-glucuronide	OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,5-disulfate	OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	387.992274314	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,4′-disulfate	OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1	387.992274314	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide	OC1C(OC2=CC=C(\C=C\C3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O	580.142820202	C₂₆H₂₈O₁₅	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide	OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2)OC(C(O)C1O)C(O)=O	580.142820202	C₂₆H₂₈O₁₅	(Poly)phenol metabolites	Stilbene metabolites	Show
dihydro-piceid	OCC1OC(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O	392.147117733	C₂₀H₂₄O₈	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol-sulfate		308.0355	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol sulfate		310.0511	C₁₄H₁₄O₆S	(Poly)phenol metabolites	Stilbene metabolites	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
(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
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
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
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Quercetin sulfate			C₁₅H₁₀O₁₀S	(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
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 sulfo-glucuronide			C₂₁H₁₈O₁₆S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylquercetin diglucuronide			C₂₈H₂₈O₁₉	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin diglucuronide			C₂₇H₂₆O₁₉	(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
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
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
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show

Biomarkers of intake

No Biomarkers of intake found

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