PhytoHub: Showing entry for Grape

Grape

Group:: Fruit, Berries

Identification

Name: Grape
ID: 75
Food group: Fruit, Berries

Synonyms

No Synonyms

External Links

ITIS: 28606
FooDB (Foods): 374

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran	CC=C(C)C1CCC(C)(C)O1	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
2-vinyl-2-methyl-tetrahydrofuran-5-one	CC1(CCC(=O)O1)C=C	126.068079562	C₇H₁₀O₂	Terpenoids	Monoterpenoids	Publications	Show
3,7-dimethyloct-1-en-3,6,7-triol	CC(C)(O)C(O)CCC(C)(O)C=C	188.141244504	C₁₀H₂₀O₃	Terpenoids	Monoterpenoids	Publications	Show
3,7-dimethylocta-1,5-dien-3,7-diol	CC(C)(O)C=CCC(C)(O)C=C	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
3,7-dimethylocta-1,7-dien-3,6-diol	CC(=C)C(O)CCC(C)(O)C=C	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
3,7-dimethylocta-1-en-3,7-diol	CC(C)(O)CCCC(C)(O)C=C	172.146329884	C₁₀H₂₀O₂	Terpenoids	Monoterpenoids	Publications	Show
Citronellal	CC(CCC=C(C)C)CC=O	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Citronellol	CC(CCO)CCC=C(C)C	156.151415264	C₁₀H₂₀O	Terpenoids	Monoterpenoids	Publications	Show
Citronellyl acetate	CC(CCOC(C)=O)CCC=C(C)C	198.161979948	C₁₂H₂₂O₂	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
Geranial	CC(C)=CCC\C(C)=C\C=O	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Publications	Show
Geranic acid (trans-)	CC(C)=CCC\C(C)=C\C(O)=O	168.115029755	C₁₀H₁₆O₂	Terpenoids	Monoterpenoids	Publications	Show
Geraniol	CC(C)=CCC\C(C)=C\CO	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Geraniol (Hydroxy-)	C\C(CO)=C/CC\C(C)=C\CO	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
Geranoate (trans-methyl)	COC(=O)\C=C(/C)CCC=C(C)C	182.13067982	C₁₁H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
Geranyl acetate	CC(C)=CCC\C(C)=C\COC(C)=O	196.146329884	C₁₂H₂₀O₂	Terpenoids	Monoterpenoids	Publications	Show
Hotrienol	[H]\C(CC(C)(O)C=C)=C(\[H])C(C)=C	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	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
Linalool (8-hydroxydihydro-)	[H]OCC(C)CCCC(C)(O[H])C=C	172.146329884	C₁₀H₂₀O₂	Terpenoids	Monoterpenoids	Publications	Show
Linalool (cis-8-hydroxy-)	[H]OC\C(C)=C/CCC(C)(O[H])C=C	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
Linalool (trans-8-hydroxy-)	[H]OC\C(C)=C\CCC(C)(O[H])C=C	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
linalool oxide (cis-anhydrofuran)	CC(=C)[[email protected]@]1(C)CC[[email protected]](C)(O1)C=C	166.1357652	C₁₁H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
linalool oxide (cis-furan)	CC(C)(O)[[email protected]@]1(C)CC[[email protected]](C)(O1)C=C	184.146329884	C₁₁H₂₀O₂	Terpenoids	Monoterpenoids	Publications	Show
Linalool oxide (cis-pyran)	CC1(C)O[[email protected]@](C)(CC[[email protected]@H]1O)C=C	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
linalool oxide (trans-anhydrofuran)	CC(=C)[[email protected]@H]1CC[[email protected]](C)(O1)C=C	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Publications	Show
linalool oxide (trans-furan)	[H]OC(C)(C)[[email protected]]1(C)CC[[email protected]](C)(O1)C=C	184.146329884	C₁₁H₂₀O₂	Terpenoids	Monoterpenoids	Publications	Show
Linalool oxide (trans-pyran)	[H]O[[email protected]]1CC[[email protected]@](C)(OC1(C)C)C=C	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Publications	Show
Myrcene	CC(C)=CCCC(=C)C=C	136.125200515	C₁₀H₁₆	Terpenoids	Monoterpenoids	Publications	Show
Myrcenol	C\C(CO)=C\CCC(=C)C=C	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Publications	Show
Neral	CC(C)=CCC\C(C)=C/C=O	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Publications	Show
Nerol	CC(C)=CCC\C(C)=C/CO	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Ocimenol-cis	[H]OC(C)(C)CC\C=C(\C)C=C	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Ocimenol-trans	[H]\C(CCC(C)(C)O)=C(\C)C=C	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Rose oxide (cis)	C[[email protected]@H]1CCO[[email protected]@H](C1)C=C(C)C	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Rose oxide (trans)	C[[email protected]@H]1CCO[[email protected]](C1)C=C(C)C	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Terpinen-4-ol	CC(C)C1(O)CCC(C)=CC1	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Terpinene-gamma	CC(C)C1=CCC(C)=CC1	136.125200515	C₁₀H₁₆	Terpenoids	Monoterpenoids	Publications	Show
Terpineol-alpha	CC1=CC[[email protected]@H](CC1)C(C)(C)O	154.1357652	C₁₀H₁₈O	Terpenoids	Monoterpenoids	Publications	Show
Vitispirane	CC1CCC2(O1)C(=C)C=CCC2(C)C	192.151415264	C₁₃H₂₀O	Terpenoids	Monoterpenoids	Publications	Show
Bourbonene-beta	[H][[email protected]@]12CCC(=C)[[email protected]]1([H])[[email protected]@]1([H])[[email protected]@H](CC[[email protected]@]21C)C(C)C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Cadinene-beta	[H][[email protected]@]12CC(C)=CC[[email protected]@]1([H])C(C)=CC[[email protected]]2C(C)C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Cadinol	CC(C)C1CCC(C)(O)C2CCC(C)=CC12	222.198365457	C₁₅H₂₆O	Terpenoids	Sesquiterpenoids	Publications	Show
Calamenene	CC(C)[[email protected]@H]1CC[[email protected]](C)C2=CC=C(C)C=C12	202.172150708	C₁₅H₂₂	Terpenoids	Sesquiterpenoids	Publications	Show
Caryophyllen-beta	[H][[email protected]]12CC(C)(C)[[email protected]]1([H])CC\C(C)=C\CCC2=C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Copaene-alpha	[H][[email protected]@]12C3C(C)=CC[[email protected]]1([H])[[email protected]]3(C)CC[[email protected]]2C(C)C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	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
Germacrene B	CC(C)C1CC\C(C)=C\CCC(=C)\C=C\1	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Guaiene	C[[email protected]]1CCC2=C1C[[email protected]@H](CC[[email protected]@H]2C)C(C)=C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Humulene-alpha	C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Muurolene-alpha	CC(C)C1CC=C(C)C2CCC(C)=CC12	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Selinene-beta	[H][[email protected]@]12C[[email protected]@H](CC[[email protected]@]1(C)CCCC2=C)C(C)=C	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Theaspirane	C[[email protected]@H]1CC[[email protected]]2(O1)C(C)=CCCC2(C)C	194.167065328	C₁₃H₂₂O	Terpenoids	Sesquiterpenoids	Publications	Show
Ylangene	CC(C)C1CC[[email protected]@]2(C)C3CC=C(C)C2C13	204.187800773	C₁₅H₂₄	Terpenoids	Sesquiterpenoids	Publications	Show
Lutein 5,6-epoxide	C\C(\C=C\C=C(/C)\C=C\[[email protected]]1C(C)=C[[email protected]](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[[email protected]@]12O[[email protected]]1(C)C[[email protected]@H](O)CC2(C)C	584.422945663	C₄₀H₅₆O₃	Terpenoids	Carotenoids	Publications	Show
Campesterol	[H][[email protected]@]1(CC[[email protected]@]2([H])[[email protected]]3([H])CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)[[email protected]@]3([H])CC[[email protected]]12C)[[email protected]](C)CC[[email protected]@H](C)C(C)C	400.370516166	C₂₈H₄₈O	Terpenoids	Phytosterols	Publications	Show
Sitosterol-beta	CC[[email protected]](CC[[email protected]@H](C)C1CCC2C3CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C)C(C)C	414.38616623	C₂₉H₅₀O	Terpenoids	Phytosterols	Publications	Show
Stigmasterol	CC[[email protected]](\C=C\[[email protected]@H](C)C1CCC2C3CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C)C(C)C	412.370516166	C₂₉H₄₈O	Terpenoids	Phytosterols	Publications	Show
Caftaric acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O	312.048131966	C₁₃H₁₂O₉	Polyphenols	Phenolic acids	Publications	Show
(-)-Epicatechin	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Pinosylvin	OC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1	212.083729626	C₁₄H₁₂O₂	Polyphenols	Stilbenes	Publications	Show
(+)-Lariciresinol	COC1=C(O)C=CC(C[[email protected]]2CO[[email protected]@H]([[email protected]]2CO)C2=CC(OC)=C(O)C=C2)=C1	360.157288493	C₂₀H₂₄O₆	Polyphenols	Lignans	Publications	Show
Serotonin	NCCC1=CNC2=C1C=C(O)C=C2	176.094963014	C₁₀H₁₂N₂O	N-containing compounds	Amines	Publications	Show
Melatonin	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1	232.121177763	C₁₃H₁₆N₂O₂	Miscellaneous phytochemicals	Not Available	Publications	Show
Coumaroyl tartaric acid (p-)	[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O	296.053217346	C₁₃H₁₂O₈	Polyphenols	Phenolic acids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
(-)-Epicatechin 3'-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 3'-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(O)C=C2O[[email protected]]1([H])C1=CC(OS(O)(=O)=O)=C(O)C=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 4'-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(-)-Epicatechin 4'-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(O)C=C2O[[email protected]]1([H])C1=CC(O)=C(OS(O)(=O)=O)C=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 5-O-sulfate	[H][[email protected]@]1(O)CC2=C(O[[email protected]]1([H])C1=CC(O)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	Show
(-)-Epicatechin 7-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(O)C=C1)C=C(OC1C(O)OC(C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin glucuronide		466.3989068	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(-)-Epicatechin sulfoglucuronide		546.4612115	C₂₁H₂₂O₁₅S	Polyphenols	Flavonoids	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	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	Polyphenols	Flavonoids	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	Polyphenols	Flavonoids	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][[email protected]@]1(O)CC2=C(O)C=C(O)C=C2O[[email protected]]1([H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][[email protected]@]1(O)CC2=C(O[[email protected]]1([H])C1=CC(OC)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[[email protected]]1([H])C1=CC(OC)=C(O)C=C1	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	Polyphenols	Flavonoids	Show
3'-O-Methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
4'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][[email protected]@]1(O)CC2=C(O[[email protected]]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
4'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[[email protected]]1([H])C1=CC(O)=C(OC)C=C1	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Polyphenol metabolites	Show
4'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	Polyphenols	Flavonoids	Show
4'-O-methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	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	Polyphenols	Flavonoids	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294311	C₁₁H₁₄O₃	Polyphenols	Flavonoids	Show
Methyl-(-)-epicatechin sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
Methyl-(-)-epicatechin sulfoglucuronide		560.4882003	C₂₂H₂₄O₁₅S	Polyphenols	Flavonoids	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	Polyphenols	Flavonoids	Show
(-)-Epicatechin-5-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl-epicatechin-5-O-glucuronide	COC1=CC(CC=C1O)[[email protected]]1OC2=CC(O)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2C[[email protected]]1O	482.142426277	C₂₂H₂₆O₁₂	Polyphenols	Polyphenol 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[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl-epicatechin	COC1=CC(=CC=C1O)[[email protected]]1OC2=C(C[[email protected]]1O)C(O)=CC(O)=C2	304.094688235	C₁₆H₁₆O₆	Polyphenols	Polyphenol 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	Polyphenols	Polyphenol metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid	OC(CCC(O)=O)CC1=CC=CC(O)=C1	210.089208931	C₁₁H₁₄O₄	Polyphenols	Flavonoids	Show
5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS([O-])(=O)=O)=C1	289.038747513	C₁₁H₁₃O₇S	Polyphenols	Polyphenol metabolites	Show
5-(Phenyl)-gamma-valerolactone-3'-sulfate	[O-]S(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1	271.028182828	C₁₁H₁₁O₆S	Polyphenols	Polyphenol metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1	232.976147255	C₇H₅O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	OC(=O)CCC1=CC=C(O)C(OS([O-])(=O)=O)=C1	261.007447384	C₉H₉O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
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	Polyphenols	Polyphenol metabolites	Show
5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate	OC1=CC=C(C[[email protected]]2CCC(=O)O2)C=C1OS([O-])(=O)=O	287.023097448	C₁₁H₁₁O₇S	Polyphenols	Polyphenol metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Not Available	Show
3'-Methyl-epicatechin-7-O-glucuronide	COC1=CC(=CC=C1O)[[email protected]]1OC2=C(C[[email protected]]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	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
14-Hydroxycaryophyllene-5,6-oxide	[H][[email protected]]12CC(C)(CO)[[email protected]]1([H])CCC1(C)OC1CCC2=C	236.177630013	C₁₅H₂₄O₂	Terpenoids	Sesquiterpenoids	Show
Caryophyllene-5,6-oxide-2,12-glycol	[H][[email protected]]12CC(C)(C)[[email protected]]1([H])CCC1(C)OC1CCC2(O)CO	254.188194697	C₁₅H₂₆O₃	Terpenoids	Sesquiterpenoids	Show
8-carboxygeraniol	C\C(CC\C=C(/C)C(O)=O)=C/CO	184.109944375	C₁₀H₁₆O₃	Terpenoids	Monoterpenoids	Show
Hildebrand's acids	C\C(CC\C=C(/C)C(O)=O)=C/C(O)=O	198.089208931	C₁₀H₁₄O₄	Terpenoids	Monoterpenoids	Show
3-hydroxycitronelic acid	CC(C)=CCCC(C)(O)CC(O)=O	186.12559444	C₁₀H₁₈O₃	Terpenoids	Monoterpenoids	Show
Geranic acid	CC(C)=CCC\C(C)=C\C(O)=O	168.115029755	C₁₀H₁₆O₂	Terpenoids	Monoterpenoids	Show
8-hydroxygeraniol	C\C(CO)=C/CC\C(C)=C\CO	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	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	Terpenoids	Monoterpenoids	Show
Carveol	CC(=C)C1CC=C(C)C(O)C1	152.120115135	C₁₀H₁₆O	Terpenoids	Monoterpenoids	Show
Limonene-1,2-diol	CC(=C)C1CCC(C)(O)C(C)(O)C1	184.146329884	C₁₁H₂₀O₂	Terpenoids	Monoterpenoids	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	Terpenoids	Monoterpenoids	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	Terpenoids	Monoterpenoids	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)[[email protected]]1CC[[email protected]](CC1)C(O)=O	168.115029755	C₁₀H₁₆O₂	Terpenoids	Monoterpenoids	Show
Dihydroperillic acid (cis-)	CC(=C)[[email protected]]1CC[[email protected]@H](CC1)C(O)=O	168.115029755	C₁₀H₁₆O₂	Terpenoids	Monoterpenoids	Show
Dihydroperillic acid glucuronide (trans-)	CC(=C)[[email protected]]1CC[[email protected]](CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O	344.147117733	C₁₆H₂₄O₈	Terpenoids	Monoterpenoids	Show
Dihydroperillic acid glucuronide (cis-)	CC(=C)[[email protected]]1CC[[email protected]@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)OC1C(O)OC(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)OC1C(O)OC(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	Terpenoids	Monoterpenoids	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)OC1C(O)OC(C(O)C1O)C(O)=O	346.162767797	C₁₆H₂₆O₈	Terpenoid metabolites	Monoterpenoid metabolites	Show
Limonene-1,2-diol glucuronide II	CC(=C)C1CCC(C)(OC2C(O)OC(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)OC1C(O)OC(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)COC1C(O)OC(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)(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-menthan-7-oic acid glucuronide II	CC(CO)(OC1C(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-menthan-7-oic acid glucuronide III	CC(O)(CO)C1CCC(CC1)C(=O)OC1C(O)OC(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(CC1OC1C(O)OC(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[[email protected]@H]2O[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]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
6-Sulfatoxymelatonin	[H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O	328.072907417	C₁₃H₁₆N₂O₆S	Miscellaneous phytochemicals	Miscellaneous phytochemical metabolites	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	Terpenoids	Monoterpenoids	Show
Myrcene (3-Hydroxy, 10-carboxylic acid)	CC(C)=CCCC(O)(C=C)C(O)=O	184.109944375	C₁₀H₁₆O₃	Terpenoids	Monoterpenoids	Show
Myrcene-1,2-glycol	CC(C)=CCCC(=C)C(O)CO	170.13067982	C₁₀H₁₈O₂	Terpenoids	Monoterpenoids	Show
Myrcene (2-hydroxy, 1-carboxylic acid)	CC(C)=CCCC(=C)C(O)C(O)=O	184.109944375	C₁₀H₁₆O₃	Terpenoids	Monoterpenoids	Show
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	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
Pinosylvin-glucuronide		388.1158	C₂₀H₂₀O₈	Polyphenols	Stilbenes	Show
5-Hydroxyindole acetic acid	OC(=O)CC1=CNC2=C1C=C(O)C=C2	191.058243154	C₁₀H₉NO₃	N-containing compounds	Amines	Show

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