Chemical Formula: C14H16O4
Chemical Formula C14H16O4
Found 250 metabolite its formula value is C14H16O4
Pyriculol
Pyriculol
A benzaldehyde that is salicylaldehyde which is substituted at position 6 by a (3R,4S,5E)-3,4-dihydroxyhepta-1,5-dien-1-yl group. It is a phytotoxic metabolite, isolated from the rice blast fungi Magnaporthe oryzae and Magnaporthe grisea.
Mycorradicin
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioic acid
Mycorradicin is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Mycorradicin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Mycorradicin can be found in corn, which makes mycorradicin a potential biomarker for the consumption of this food product.
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in beverages. (+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
Prenyl cis-caffeate
3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Prenyl cis-caffeate is a constituent of Populus species Prenyl cis-caffeate is a flavouring agent. Constituent of Populus subspecies
Citreovirenone
6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-pyran-4-one
Citreovirenone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride B. Mycotoxin production by the rice storage mould Penicillium citreo-viride B.
3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-[2,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[2,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenoic acid
3-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenoic acid
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-2-methoxyethan-1-one
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Madia sativa (Chile tarweed)
Pyriculariol
Pyriculariol
A member of the class of benzaldehydes that is salicylaldehyde which is substituted at position 6 by a (1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl group. An isomer of pyriculol.
2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
7-Hydroxy-4-(3-methylbutoxy)-2H-1-benzopyran-2-one
7-Hydroxy-4-(3-methylbutoxy)-2H-1-benzopyran-2-one
3beta-methoxy-2, 3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3beta-methoxy-2,3-dihydrobenzofuran
3beta-methoxy-2, 3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3beta-methoxy-2,3-dihydrobenzofuran
(3R,3aR)-3-(3-furanyl)-3a-methyl-7-hydroxymethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one|10-hydroxyfraxinellone|30-hydroxyfraxinellone
(3R,3aR)-3-(3-furanyl)-3a-methyl-7-hydroxymethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one|10-hydroxyfraxinellone|30-hydroxyfraxinellone
(6S)-4-(2,4-hexadienoyl)-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-one|sorbicillinol
(6S)-4-(2,4-hexadienoyl)-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-one|sorbicillinol
8-Methyl-8-(hydroxymethyl)-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b]dipyran-3-ol
8-Methyl-8-(hydroxymethyl)-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b]dipyran-3-ol
2,2,5-Trimethyl-7-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
2,2,5-Trimethyl-7-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
(E)-4-hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)-benzaldehyde
(E)-4-hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)-benzaldehyde
2,2-Dimethyl-8-methoxy-2H-1-benzopyran-6-carboxylic acid methyl ester
2,2-Dimethyl-8-methoxy-2H-1-benzopyran-6-carboxylic acid methyl ester
4-(1-hydroxy-2-butenyl)-1,4-dihydro-2,3-benzodioxocin-10-ol
4-(1-hydroxy-2-butenyl)-1,4-dihydro-2,3-benzodioxocin-10-ol
(3S*,4S*,5R*)-(E)-3,4-dihydroxy-2-(hexa-2,4-diyniliden)-1,6-dioxaspiro-(4.5)-decane|(3S*,4S*,5R*)-(E)-3,4-Dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane|(E)-3beta,4alpha-dihydroxyl-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,5]decane
(3S*,4S*,5R*)-(E)-3,4-dihydroxy-2-(hexa-2,4-diyniliden)-1,6-dioxaspiro-(4.5)-decane|(3S*,4S*,5R*)-(E)-3,4-Dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane|(E)-3beta,4alpha-dihydroxyl-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,5]decane
3-(5-methylene-2-oxo-6-penta-1,3-dienyl-5,6-dihydro-2H-pyran-3-yl)propionic acid|Dykellic acid
3-(5-methylene-2-oxo-6-penta-1,3-dienyl-5,6-dihydro-2H-pyran-3-yl)propionic acid|Dykellic acid
1-(2-methoxy-3-formyl-but-3-en-1-yl)-resacetophenone|1-<2-methoxy-3-formyl-but-3-en-1-yl>-resacetophenone
1-(2-methoxy-3-formyl-but-3-en-1-yl)-resacetophenone|1-<2-methoxy-3-formyl-but-3-en-1-yl>-resacetophenone
2,2,7-Trimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
2,2,7-Trimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
nigerapyrone D
nigerapyrone D
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
3-[(2E)-but-2-en-1-yl]-5-hydroxy-5,7-dimethyl-4,5-dihydro-1-benzofuran-2,6-dione|phialofurone
3-[(2E)-but-2-en-1-yl]-5-hydroxy-5,7-dimethyl-4,5-dihydro-1-benzofuran-2,6-dione|phialofurone
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,5-dione|linderolide H
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,5-dione|linderolide H
7-Hydroxy-2-(2-hydroxybutyl)-5-methyl-2-chromene-4-one
7-Hydroxy-2-(2-hydroxybutyl)-5-methyl-2-chromene-4-one
4-acetyl-3-hydroxy-1-hydroxymethyl-6-methyl-5-oxo-5,6,7,8-tetrahydronaphthalene|goldfussin B
4-acetyl-3-hydroxy-1-hydroxymethyl-6-methyl-5-oxo-5,6,7,8-tetrahydronaphthalene|goldfussin B
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6-yl)-2-propenoic acid
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6-yl)-2-propenoic acid
(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)
NCGC00169781-02_C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)-
(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]
NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]
NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]
NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based: Match]
NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based: Match]
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-2-methoxyethan-1-one
2-(3,4-DIMETHYLBENZOYL)-3-OXO-BUTYRICACIDMETHYLESTER
2-(3,4-DIMETHYLBENZOYL)-3-OXO-BUTYRICACIDMETHYLESTER
2-Methyl-2-propanyl 3-(4-methylphenyl)-2,3-dioxopropanoate
2-Methyl-2-propanyl 3-(4-methylphenyl)-2,3-dioxopropanoate
Methyl 5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxylate
Methyl 5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxylate
2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
3,4-Dihydroxy-5-prenylcinnamic acid
3,4-Dihydroxy-5-prenylcinnamic acid
A hydroxycinnamic acid that is trans-caffeic acid substituted by a prenyl group at position 5. Isolated from Brazilian propolis, it exhibits antioxidant activity.
(Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoic acid
(Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoic acid
2-[(Z)-2,4-Hexadiynylidene]-1,6-dioxaspiro[4.5]decane-3,4-diol
2-[(Z)-2,4-Hexadiynylidene]-1,6-dioxaspiro[4.5]decane-3,4-diol
Monocyclohexyl phthalate
Monocyclohexyl phthalate
A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with cyclohexanol. It is a metabolite of the commonly used plasticiser dicyclohexyl phthalate.
3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
2-methyl-5-(6-methyl-5,6-dihydro-4h-pyran-2-carbonyl)benzene-1,3-diol
2-methyl-5-(6-methyl-5,6-dihydro-4h-pyran-2-carbonyl)benzene-1,3-diol
7-hydroxy-6-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
7-hydroxy-6-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
2-[(1e,3e,5r,6s)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
2-[(1e,3e,5r,6s)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
1-[(2s)-6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[(2s)-6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone
1-(7-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)ethanone
1-(7-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)ethanone
4-[(4e)-hex-4-enoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
4-[(4e)-hex-4-enoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
2-[(1e,3s,4s,5e)-3,4-dihydroxyhepta-1,5-dien-1-yl]-6-hydroxybenzaldehyde
2-[(1e,3s,4s,5e)-3,4-dihydroxyhepta-1,5-dien-1-yl]-6-hydroxybenzaldehyde
8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone
(3ar,4ar,7as,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(3ar,4ar,7as,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
7-hydroxy-4-isopropyl-3-methoxy-6-methylchromen-2-one
7-hydroxy-4-isopropyl-3-methoxy-6-methylchromen-2-one
7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
7-hydroxy-2-[(1e)-3-hydroxyprop-1-en-1-yl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-2-[(1e)-3-hydroxyprop-1-en-1-yl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane
NA
{"Ingredient_id": "HBIN009643","Ingredient_name": "(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC#CC#CC=C1C(C(C2(O1)CCCCO2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran
NA
{"Ingredient_id": "HBIN012165","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6beta-hydroxyfraxinellone
NA
{"Ingredient_id": "HBIN012275","Ingredient_name": "6beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "15.20442498","CAS_id": "NA","SymMap_id": "SMIT07894","TCMID_id": "NA","TCMSP_id": "MOL006245","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
(6r,7r,8r)-8-methoxygoniodiol
NA
{"Ingredient_id": "HBIN012779","Ingredient_name": "(6r,7r,8r)-8-methoxygoniodiol","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "COC(C1=CC=CC=C1)C(C2CC=CC(=O)O2)O","Ingredient_weight": "248.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13936","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44566796","DrugBank_id": "NA"}
9beta-hydroxyfraxinellone
NA
{"Ingredient_id": "HBIN014071","Ingredient_name": "9beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "96.52281962","CAS_id": "NA","SymMap_id": "SMIT07920","TCMID_id": "NA","TCMSP_id": "MOL006274","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
6-hydroxy-4,4-dimethyl-8-(prop-1-en-1-yl)-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
6-hydroxy-4,4-dimethyl-8-(prop-1-en-1-yl)-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
(2e)-3-{4-hydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
(2e)-3-{4-hydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-{5-methylidene-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-6h-pyran-3-yl}propanoic acid
3-{5-methylidene-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-6h-pyran-3-yl}propanoic acid
3-hydroxy-7,8-bis(prop-1-en-1-yl)-1-oxaspiro[4.4]non-7-ene-2,6-dione
3-hydroxy-7,8-bis(prop-1-en-1-yl)-1-oxaspiro[4.4]non-7-ene-2,6-dione
5-hydroxy-2-isopropyl-7-methoxy-8-methylchromen-4-one
5-hydroxy-2-isopropyl-7-methoxy-8-methylchromen-4-one
1-(2,4-dihydroxy-3,5-dimethylphenyl)-6-hydroxyhexa-2,4-dien-1-one
1-(2,4-dihydroxy-3,5-dimethylphenyl)-6-hydroxyhexa-2,4-dien-1-one
(4s,5z)-4-[(1s,2e)-1-hydroxybut-2-en-1-yl]-1,4-dihydro-2,3-benzodioxocin-10-ol
(4s,5z)-4-[(1s,2e)-1-hydroxybut-2-en-1-yl]-1,4-dihydro-2,3-benzodioxocin-10-ol
4,6-dihydroxy-3,3,4,7-tetramethylnaphthalene-1,2-dione
4,6-dihydroxy-3,3,4,7-tetramethylnaphthalene-1,2-dione
(2e,4e)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
(2e,4e)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one
1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one
1-[(2s)-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
1-[(2s)-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
1-[(2s,3r)-6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[(2s,3r)-6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[5-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
1-[5-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
(4ar,8ar,9as)-9a-hydroxy-3,8a-dimethyl-4h,4ah,5h,9h-naphtho[2,3-b]furan-2,8-dione
(4ar,8ar,9as)-9a-hydroxy-3,8a-dimethyl-4h,4ah,5h,9h-naphtho[2,3-b]furan-2,8-dione
1-[4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
8-(hydroxymethyl)-8-methyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
8-(hydroxymethyl)-8-methyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
3-[5-methylidene-2-oxo-6-(penta-1,3-dien-1-yl)-6h-pyran-3-yl]propanoic acid
3-[5-methylidene-2-oxo-6-(penta-1,3-dien-1-yl)-6h-pyran-3-yl]propanoic acid
(5s,6s)-5-hydroxy-6-[(1r,6s,7r,8s)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-5,6-dihydropyran-2-one
(5s,6s)-5-hydroxy-6-[(1r,6s,7r,8s)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-5,6-dihydropyran-2-one
3-[(5e)-5-[(2e,4e)-hexa-2,4-dien-1-ylidene]-2-oxo-6h-pyran-3-yl]propanoic acid
3-[(5e)-5-[(2e,4e)-hexa-2,4-dien-1-ylidene]-2-oxo-6h-pyran-3-yl]propanoic acid
11-methyltricyclo[6.3.0.0¹,⁵]undeca-2,6-diene-3,6-dicarboxylic acid
11-methyltricyclo[6.3.0.0¹,⁵]undeca-2,6-diene-3,6-dicarboxylic acid
3-methylbut-3-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3-methylbut-3-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-[(2s)-4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[(2s)-4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
methyl 7-hydroxy-2,2,5-trimethylchromene-6-carboxylate
methyl 7-hydroxy-2,2,5-trimethylchromene-6-carboxylate
1-[6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
2-methyl-5-[(6s)-6-methyl-5,6-dihydro-4h-pyran-2-carbonyl]benzene-1,3-diol
2-methyl-5-[(6s)-6-methyl-5,6-dihydro-4h-pyran-2-carbonyl]benzene-1,3-diol
(3s)-4-(5-acetyl-2-hydroxyphenyl)-3-methoxy-2-methylidenebutanal
(3s)-4-(5-acetyl-2-hydroxyphenyl)-3-methoxy-2-methylidenebutanal
(6r)-6-[(1s,2r)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydropyran-2-one
(6r)-6-[(1s,2r)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydropyran-2-one
4-(hex-4-enoyl)-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
4-(hex-4-enoyl)-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
7-hydroxy-3-(3-hydroxy-3-methylbutyl)chromen-2-one
7-hydroxy-3-(3-hydroxy-3-methylbutyl)chromen-2-one
7-ethyl-8-hydroxy-6-methoxy-2,3-dimethylchromen-4-one
7-ethyl-8-hydroxy-6-methoxy-2,3-dimethylchromen-4-one
(2e,3s,4s,5r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol
(2e,3s,4s,5r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol
3-[(5z)-5-[(2e,4e)-hexa-2,4-dien-1-ylidene]-2-oxo-6h-pyran-3-yl]propanoic acid
3-[(5z)-5-[(2e,4e)-hexa-2,4-dien-1-ylidene]-2-oxo-6h-pyran-3-yl]propanoic acid
8-ethyl-2-(hydroxymethyl)-3,8-dimethylchromene-4,7-dione
8-ethyl-2-(hydroxymethyl)-3,8-dimethylchromene-4,7-dione
(3r,3ar,6s)-3-(furan-2-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3r,3ar,6s)-3-(furan-2-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(2e)-2-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2e)-2-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)ethanone
1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)ethanone
1-[2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
1-[2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
(3r,3ar)-3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3r,3ar)-3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(6r)-6-[(1r,2r)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydropyran-2-one
(6r)-6-[(1r,2r)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydropyran-2-one
(3ar,4ar,7ar,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(3ar,4ar,7ar,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
8-acetyl-7-hydroxy-5-(hydroxymethyl)-2-methyl-3,4-dihydro-2h-naphthalen-1-one
8-acetyl-7-hydroxy-5-(hydroxymethyl)-2-methyl-3,4-dihydro-2h-naphthalen-1-one
1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
(3ar,4as,7ar,8r,9ar)-4a-hydroxy-8-methyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(3ar,4as,7ar,8r,9ar)-4a-hydroxy-8-methyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
4-[(2e)-1-hydroxybut-2-en-1-yl]-1,4-dihydro-2,3-benzodioxocin-10-ol
4-[(2e)-1-hydroxybut-2-en-1-yl]-1,4-dihydro-2,3-benzodioxocin-10-ol
(1r,9r)-1,9-dimethyl-8,13-dioxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-triene-5-carboxylic acid
(1r,9r)-1,9-dimethyl-8,13-dioxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-triene-5-carboxylic acid
(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylhex-4-enoic acid
(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylhex-4-enoic acid
4-(1-hydroxybut-2-en-1-yl)-1,4-dihydro-2,3-benzodioxocin-10-ol
4-(1-hydroxybut-2-en-1-yl)-1,4-dihydro-2,3-benzodioxocin-10-ol
(5r,6s)-5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydropyran-2-one
(5r,6s)-5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydropyran-2-one
(1s,6r,8r,9s)-9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
(1s,6r,8r,9s)-9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
4-(hexa-2,4-dienoyl)-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
4-(hexa-2,4-dienoyl)-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
methyl 5-hydroxy-2,2,7-trimethylchromene-6-carboxylate
methyl 5-hydroxy-2,2,7-trimethylchromene-6-carboxylate
2-hydroxy-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
2-hydroxy-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
(2e,4e)-1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one
(2e,4e)-1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one
(3r,3ar,6s)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3r,3ar,6s)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
4a-hydroxy-8-methyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
4a-hydroxy-8-methyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(1s,3r,7s,8s)-8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
(1s,3r,7s,8s)-8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
(3s,8s)-8-(hydroxymethyl)-8-methyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
(3s,8s)-8-(hydroxymethyl)-8-methyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol
2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol
6-(1-hydroxy-2-methoxy-2-phenylethyl)-5,6-dihydropyran-2-one
6-(1-hydroxy-2-methoxy-2-phenylethyl)-5,6-dihydropyran-2-one
(8r)-8-ethyl-2-(hydroxymethyl)-3,8-dimethylchromene-4,7-dione
(8r)-8-ethyl-2-(hydroxymethyl)-3,8-dimethylchromene-4,7-dione
3-[(6s)-5-methylidene-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-6h-pyran-3-yl]propanoic acid
3-[(6s)-5-methylidene-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-6h-pyran-3-yl]propanoic acid
7-hydroxy-3-[(2r)-2-hydroxypropyl]-5,6-dimethylisochromen-1-one
7-hydroxy-3-[(2r)-2-hydroxypropyl]-5,6-dimethylisochromen-1-one
3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
1-[(2r,3s)-6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[(2r,3s)-6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(6s)-4-[(2e,4e)-hexa-2,4-dienoyl]-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
(6s)-4-[(2e,4e)-hexa-2,4-dienoyl]-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3r,5r)-3-hydroxy-7,8-bis[(1e)-prop-1-en-1-yl]-1-oxaspiro[4.4]non-7-ene-2,6-dione
(3r,5r)-3-hydroxy-7,8-bis[(1e)-prop-1-en-1-yl]-1-oxaspiro[4.4]non-7-ene-2,6-dione
3-hydroxy-8-isopropyl-5-oxo-7,8-dihydro-6h-naphthalene-2-carboxylic acid
3-hydroxy-8-isopropyl-5-oxo-7,8-dihydro-6h-naphthalene-2-carboxylic acid
2-(3,4-dihydroxyhepta-1,5-dien-1-yl)-6-hydroxybenzaldehyde
2-(3,4-dihydroxyhepta-1,5-dien-1-yl)-6-hydroxybenzaldehyde
3-[5-(hexa-2,4-dien-1-ylidene)-2-oxo-6h-pyran-3-yl]propanoic acid
3-[5-(hexa-2,4-dien-1-ylidene)-2-oxo-6h-pyran-3-yl]propanoic acid
(8s)-8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
(8s)-8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
(2s)-8-acetyl-7-hydroxy-5-(hydroxymethyl)-2-methyl-3,4-dihydro-2h-naphthalen-1-one
(2s)-8-acetyl-7-hydroxy-5-(hydroxymethyl)-2-methyl-3,4-dihydro-2h-naphthalen-1-one
methyl 8-methoxy-2,2-dimethylchromene-6-carboxylate
methyl 8-methoxy-2,2-dimethylchromene-6-carboxylate
(8r)-3-hydroxy-8-isopropyl-5-oxo-7,8-dihydro-6h-naphthalene-2-carboxylic acid
(8r)-3-hydroxy-8-isopropyl-5-oxo-7,8-dihydro-6h-naphthalene-2-carboxylic acid
(1s,3r,4r,6r,8r,9r,11r,12r)-11-hydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecan-7-one
(1s,3r,4r,6r,8r,9r,11r,12r)-11-hydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecan-7-one
(3r,3ar,6r)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3r,3ar,6r)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
5-hydroxy-6-{8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl}-5,6-dihydropyran-2-one
5-hydroxy-6-{8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl}-5,6-dihydropyran-2-one
1-[(2r,3s)-5-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
1-[(2r,3s)-5-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
1-[6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
4-methoxy-3-methyl-6-(3-methyl-5-oxohexa-1,3-dien-1-yl)pyran-2-one
4-methoxy-3-methyl-6-(3-methyl-5-oxohexa-1,3-dien-1-yl)pyran-2-one
7-hydroxy-2-(3-hydroxyprop-1-en-1-yl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-2-(3-hydroxyprop-1-en-1-yl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
3-(furan-2-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
3-(furan-2-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(2e)-3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
(2e)-3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
(3s,4s)-3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
(3s,4s)-3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
4-{2-[(1s)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl}phenol
4-{2-[(1s)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl}phenol
4-(5-acetyl-2-hydroxyphenyl)-3-methoxy-2-methylidenebutanal
4-(5-acetyl-2-hydroxyphenyl)-3-methoxy-2-methylidenebutanal
5-hydroxy-2-isopropyl-7-methoxy-6-methylchromen-4-one
5-hydroxy-2-isopropyl-7-methoxy-6-methylchromen-4-one
(1r)-1-[(2r)-5-oxooxolan-2-yl]ethyl 2-phenylacetate
(1r)-1-[(2r)-5-oxooxolan-2-yl]ethyl 2-phenylacetate