Exact Mass: 236.1049

Exact Mass Matches: 236.1049

Found 209 metabolites which its exact mass value is equals to given mass value 236.1049, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

3-Dimethylallyl-4-hydroxymandelic acid

3-Dimethylallyl-4-hydroxymandelic acid

C13H16O4 (236.1049)


   

Carboxy-ibuprofen

3-[4-(1-carboxyethyl)phenyl]-2-methylpropanoic acid

C13H16O4 (236.1049)


Carboxy-ibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)

   

Proglobeflowery acid

Proglobeflowery acid

C13H16O4 (236.1049)


D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens

   

Ethyl vanillin isobutyrate

2-Methylpropanoic acid 2-ethoxy-4-formylphenyl ester

C13H16O4 (236.1049)


Ethyl vanillin isobutyrate is a flavouring ingredient. Flavouring ingredient

   

2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione

2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione

C13H16O4 (236.1049)


   

Isopropyl ferulate

4-Hydroxy-3-methoxycinnamic acid isopropyl ester; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid 1-methylethyl ester

C13H16O4 (236.1049)


Isopropyl ferulate, isolated from Notopterygium incisum, is used in the reduction of pharmaceuticals, preparation of antifungal agents, cosmetics and as antioxidant agent and so forth[1].

   

Hyperolactone B

(+)-Hyperolactone B

C13H16O4 (236.1049)


   

(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane

(+)-(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane

C13H16O4 (236.1049)


   

Methyl anodendroate

Methyl anodendroate

C13H16O4 (236.1049)


   

Pyrenochaetic acid C

Pyrenochaetic acid C

C13H16O4 (236.1049)


   
   

(3S,4S)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane

(-)-(3S,4S)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane

C13H16O4 (236.1049)


   

Tetrahydro-1-(4-hydroxyphenyl)-4-methoxy-1H,3H-furo[3,4-c]furan

Tetrahydro-1-(4-hydroxyphenyl)-4-methoxy-1H,3H-furo[3,4-c]furan

C13H16O4 (236.1049)


   

MCULE-6098726179

MCULE-6098726179

C13H16O4 (236.1049)


   

8-ethyl-7-hydroxy-5-methoxy-2-methylchroman-4-one

8-ethyl-7-hydroxy-5-methoxy-2-methylchroman-4-one

C13H16O4 (236.1049)


   

Redoxcitrinin

Redoxcitrinin

C13H16O4 (236.1049)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium verrucosum

   

(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate

(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate

C13H16O4 (236.1049)


   

6,7-Dimethoxy-2,2-dimethyl-4-chromanone

6,7-Dimethoxy-2,2-dimethyl-4-chromanone

C13H16O4 (236.1049)


   

Wutaialdehyde

Wutaialdehyde

C13H16O4 (236.1049)


   

(3E)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one|sacidumol A

(3E)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one|sacidumol A

C13H16O4 (236.1049)


   

1-(2,4,6-TRIMETHOXYPHENYL)BUT-2-EN-1-ONE

1-(2,4,6-TRIMETHOXYPHENYL)BUT-2-EN-1-ONE

C13H16O4 (236.1049)


   

4-hydroxy-6-me~hoxy-5-(l-oxobutyl)benzo[b]dihydrofuran

4-hydroxy-6-me~hoxy-5-(l-oxobutyl)benzo[b]dihydrofuran

C13H16O4 (236.1049)


   

SCHEMBL16226732

SCHEMBL16226732

C13H16O4 (236.1049)


   

J3.513.517K

J3.513.517K

C13H16O4 (236.1049)


   

SCHEMBL9634302

SCHEMBL9634302

C13H16O4 (236.1049)


   

methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl)benzoate

methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl)benzoate

C13H16O4 (236.1049)


A benzoate ester that is methyl benzoate substituted by hydroxy groups at positions 3 and 4 and a prenyl group at position 5. Isolated from Piper glabratum and Piper acutifolium, it exhibits antileishmanial activity.

   

4-Allyl-2,6-dimethoxyphenyl acetate

4-Allyl-2,6-dimethoxyphenyl acetate

C13H16O4 (236.1049)


   

10,11-dihydro-6-hydroxy-toxol

10,11-dihydro-6-hydroxy-toxol

C13H16O4 (236.1049)


   

2,2-Dimethyl-5,7-dimethoxy-2H-1-benzopyran-8-ol

2,2-Dimethyl-5,7-dimethoxy-2H-1-benzopyran-8-ol

C13H16O4 (236.1049)


   
   

(3S,3R)-3-(3-hydroxybutyl)-7-methoxyphthalide

(3S,3R)-3-(3-hydroxybutyl)-7-methoxyphthalide

C13H16O4 (236.1049)


   

NCGC00385797-01

NCGC00385797-01

C13H16O4 (236.1049)


   

SCHEMBL8461352

SCHEMBL8461352

C13H16O4 (236.1049)


   

CHEMBL450751

CHEMBL450751

C13H16O4 (236.1049)


   

CHEMBL1241050

CHEMBL1241050

C13H16O4 (236.1049)


   

3-hydroxy-4-(3-methylbut-2-enyloxy)benzoic acid methyl ester

3-hydroxy-4-(3-methylbut-2-enyloxy)benzoic acid methyl ester

C13H16O4 (236.1049)


   

Di-Ac-1-Phenyl-1,2-propanediol

Di-Ac-1-Phenyl-1,2-propanediol

C13H16O4 (236.1049)


   

Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl-

Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl-

C13H16O4 (236.1049)


   

SCHEMBL2188208

SCHEMBL2188208

C13H16O4 (236.1049)


   

BUTYL 3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE

BUTYL 3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE

C13H16O4 (236.1049)


   

6-hydroxyeupatoriochromene B|7,8-Di-Me ether-6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran

6-hydroxyeupatoriochromene B|7,8-Di-Me ether-6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran

C13H16O4 (236.1049)


   

5,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-ol

5,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-ol

C13H16O4 (236.1049)


   

(+/-)-Xyloketal H

(+/-)-Xyloketal H

C13H16O4 (236.1049)


   

2-(4-Methoxyphenyl)-2-oxoacetic acid butyl ester

2-(4-Methoxyphenyl)-2-oxoacetic acid butyl ester

C13H16O4 (236.1049)


   

Antibiotic FD 211|FD-211

Antibiotic FD 211|FD-211

C13H16O4 (236.1049)


   
   

2-ethyl-5,7-dimethoxy-chroman-4-one|2-ethyl-5,7-dimethoxychromanone

2-ethyl-5,7-dimethoxy-chroman-4-one|2-ethyl-5,7-dimethoxychromanone

C13H16O4 (236.1049)


   

Butyl 2-acetyloxybenzoate

Butyl 2-acetyloxybenzoate

C13H16O4 (236.1049)


   

vertinolide

vertinolide

C13H16O4 (236.1049)


   

2-(1-hydroxyisopropyl)-5-(1,2-dihydroxyethyl)-benzofuran|2-<1-hydroxyisopropyl>-5-<1,2-dihydroxyethyl>-benzofuran

2-(1-hydroxyisopropyl)-5-(1,2-dihydroxyethyl)-benzofuran|2-<1-hydroxyisopropyl>-5-<1,2-dihydroxyethyl>-benzofuran

C13H16O4 (236.1049)


   
   

Dihydrogalangal acetate

Dihydrogalangal acetate

C13H16O4 (236.1049)


   

Methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate

Methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate

C13H16O4 (236.1049)


   

3-Methoxy-4-acetyl-5-methylbenzoic acid ethyl ester

3-Methoxy-4-acetyl-5-methylbenzoic acid ethyl ester

C13H16O4 (236.1049)


   

3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine

3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine

C13H16O4 (236.1049)


   

MS000227976

MS000227976

C13H16O4 (236.1049)


   

3-hydroxy-5-(2-isopentenyl)-4-methoxybenzoic acid|4-Me ether-3,4-Dihydroxy-5-(3-methyl-butenyl)-benzoic acid

3-hydroxy-5-(2-isopentenyl)-4-methoxybenzoic acid|4-Me ether-3,4-Dihydroxy-5-(3-methyl-butenyl)-benzoic acid

C13H16O4 (236.1049)


   

NCI60_008542

NCI60_008542

C13H16O4 (236.1049)


   

UNII-T37N9ZFY0B

UNII-T37N9ZFY0B

C13H16O4 (236.1049)


   

Pyrenochaetic acid C_120095

Pyrenochaetic acid C_120095

C13H16O4 (236.1049)


   

C13H16O4_{4-[(2-Hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetic acid

NCGC00385797-01_C13H16O4_{4-[(2-Hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetic acid

C13H16O4 (236.1049)


   

C13H16O4_1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

NCGC00380688-01_C13H16O4_1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

C13H16O4 (236.1049)


   

Carboxyibuprofen

Carboxyibuprofen

C13H16O4 (236.1049)


A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.

   

(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

C13H16O4 (236.1049)


   

1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

C13H16O4 (236.1049)


   

(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one_major

(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one_major

C13H16O4 (236.1049)


   

1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone_major

1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone_major

C13H16O4 (236.1049)


   

DIHYDRO-β-TUBAIC ACID

DIHYDRO-β-TUBAIC ACID

C13H16O4 (236.1049)


   

Ethyl vanillin isobutyrate

2-Ethoxy-4-formylphenyl 2-methylpropanoate

C13H16O4 (236.1049)


   

4-(2-Hydroxy-5-propylphenyl)-4-oxobutanoic acid

4-(2-Hydroxy-5-propylphenyl)-4-oxobutanoic acid

C13H16O4 (236.1049)


   

ethyl 2-hydroxy-3-methoxy-5-prop-2-enyl-benzoate

ethyl 2-hydroxy-3-methoxy-5-prop-2-enyl-benzoate

C13H16O4 (236.1049)


   

6-METHOXY-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

6-METHOXY-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

C13H16O4 (236.1049)


   

4-(4-METHOXY-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID

4-(4-METHOXY-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID

C13H16O4 (236.1049)


   

tert-butyl 2-(4-formylphenoxy)acetate

tert-butyl 2-(4-formylphenoxy)acetate

C13H16O4 (236.1049)


   

ethyl 2-(3-formylphenoxy)-2-methylpropanoate

ethyl 2-(3-formylphenoxy)-2-methylpropanoate

C13H16O4 (236.1049)


   

8-METHOXY-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

8-METHOXY-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

C13H16O4 (236.1049)


   

ACETIC ACID 4-ALLYL-2,6-DIMETHOXY-PHENYL ESTER

ACETIC ACID 4-ALLYL-2,6-DIMETHOXY-PHENYL ESTER

C13H16O4 (236.1049)


   

7-METHOXY-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

7-METHOXY-CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

C13H16O4 (236.1049)


   

Ethyl 4-(3-methoxyphenyl)-3-oxobutanoate

Ethyl 4-(3-methoxyphenyl)-3-oxobutanoate

C13H16O4 (236.1049)


   

4-oxo-4-(4-propoxyphenyl)butanoic acid

4-oxo-4-(4-propoxyphenyl)butanoic acid

C13H16O4 (236.1049)


   

(2R,3S)-5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol

(2R,3S)-5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol

C13H16O4 (236.1049)


   

ethyl 5-acetyl-2-ethoxybenzoate

ethyl 5-acetyl-2-ethoxybenzoate

C13H16O4 (236.1049)


   

ETHYL 3-(3,4-DIMETHOXYPHENYL)ACRYLATE

ETHYL 3-(3,4-DIMETHOXYPHENYL)ACRYLATE

C13H16O4 (236.1049)


   

1-(5-acetyl-2,4-dihydroxy-3-propylphenyl)ethanone

1-(5-acetyl-2,4-dihydroxy-3-propylphenyl)ethanone

C13H16O4 (236.1049)


   

4-(4-ETHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID

4-(4-ETHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID

C13H16O4 (236.1049)


   

4-(2-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

4-(2-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

C13H16O4 (236.1049)


   

Diethyl phenylmalonate

Diethyl phenylmalonate

C13H16O4 (236.1049)


   

Benzenepropanoicacid,4-(2-oxiranylmethoxy)-,methylester

Benzenepropanoicacid,4-(2-oxiranylmethoxy)-,methylester

C13H16O4 (236.1049)


   

2-hydroxy-3-phenoxypropyl methacrylate

2-hydroxy-3-phenoxypropyl methacrylate

C13H16O4 (236.1049)


   

Ethyl 3-(4-methoxybenzoyl)propionate

Ethyl 3-(4-methoxybenzoyl)propionate

C13H16O4 (236.1049)


   

5-(4-ethoxyphenyl)-5-oxopentanoic acid

5-(4-ethoxyphenyl)-5-oxopentanoic acid

C13H16O4 (236.1049)


   

6,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one

6,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one

C13H16O4 (236.1049)


   

5,6-dimethoxyindan-1-acetic acid

5,6-dimethoxyindan-1-acetic acid

C13H16O4 (236.1049)


   

METHANONE,CYCLOPROPYL(2,4,6-TRIMETHOXYPHENYL)

METHANONE,CYCLOPROPYL(2,4,6-TRIMETHOXYPHENYL)

C13H16O4 (236.1049)


   

3-(CYCLOPENTYLOXY)-4-METHOXYBENZOIC ACID

3-(CYCLOPENTYLOXY)-4-METHOXYBENZOIC ACID

C13H16O4 (236.1049)


   

4-O-BENZYL-D-GLUCAL,

4-O-BENZYL-D-GLUCAL,

C13H16O4 (236.1049)


   

Ethyl 4-(benzyloxy)-3-oxobutanoate

Ethyl 4-(benzyloxy)-3-oxobutanoate

C13H16O4 (236.1049)


   

Ethyl 3-(4-ethoxyphenyl)-3-oxopropanoate

Ethyl 3-(4-ethoxyphenyl)-3-oxopropanoate

C13H16O4 (236.1049)


   

(R)-(+)-dimethyl-2-benzyl-succinate

(R)-(+)-dimethyl-2-benzyl-succinate

C13H16O4 (236.1049)


   

2-METHOXY-4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)BENZALDEHYDE

2-METHOXY-4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)BENZALDEHYDE

C13H16O4 (236.1049)


   

4-O-benzyl-D-(-)-galactal

4-O-benzyl-D-(-)-galactal

C13H16O4 (236.1049)


   

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol

C12H17BO2S (236.1042)


   

tert-butyl 2-(3-formylphenoxy)acetate

tert-butyl 2-(3-formylphenoxy)acetate

C13H16O4 (236.1049)


   

2,2-[(5-methyl-1,3-phenylene)bis(oxymethylene)]bis-Oxirane

2,2-[(5-methyl-1,3-phenylene)bis(oxymethylene)]bis-Oxirane

C13H16O4 (236.1049)


   

(E)-4,4,5,5-TETRAMETHYL-2-(2-(THIOPHEN-3-YL)VINYL)-1,3,2-DIOXABOROLANE

(E)-4,4,5,5-TETRAMETHYL-2-(2-(THIOPHEN-3-YL)VINYL)-1,3,2-DIOXABOROLANE

C12H17BO2S (236.1042)


   

4-(2-methoxyphenyl)oxane-4-carboxylic acid

4-(2-methoxyphenyl)oxane-4-carboxylic acid

C13H16O4 (236.1049)


   

BUTYL 3-(3,4-DIHYDROXYPHENYL)ACRYLATE

BUTYL 3-(3,4-DIHYDROXYPHENYL)ACRYLATE

C13H16O4 (236.1049)


   

1,2-Benzenedicarboxylic acid, monopentyl ester

1,2-Benzenedicarboxylic acid, monopentyl ester

C13H16O4 (236.1049)


   

Butyl methyl phthalate

Butyl methyl phthalate

C13H16O4 (236.1049)


   

4-(Pentamethyldisilanyl)benzaldehyde

4-(Pentamethyldisilanyl)benzaldehyde

C12H20OSi2 (236.1053)


   

146367-85-3

Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)-

C13H16O4 (236.1049)


D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens

   

2-[4-(2-Hydroxy-3-methylbut-3-enoxy)phenyl]acetic acid

2-[4-(2-Hydroxy-3-methylbut-3-enoxy)phenyl]acetic acid

C13H16O4 (236.1049)


   

3,4-Dimethoxycinnamyl acetate

3,4-Dimethoxycinnamyl acetate

C13H16O4 (236.1049)


   

Stachyline B

Stachyline B

C13H16O4 (236.1049)


A natural product found in Stachylidium species.

   

3-hydroxy-5,7-di[(1E)-prop-1-en-1-yl]-3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one

3-hydroxy-5,7-di[(1E)-prop-1-en-1-yl]-3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one

C13H16O4 (236.1049)


   

5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

C13H16O4 (236.1049)


   

1-(2,4-Dihydroxyphenyl)heptane-1,2-dione

1-(2,4-Dihydroxyphenyl)heptane-1,2-dione

C13H16O4 (236.1049)


   

4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)benzoic acid

4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)benzoic acid

C13H16O4 (236.1049)


   

5-Benzyloxy-3-oxo-pentanoic acid methyl ester

5-Benzyloxy-3-oxo-pentanoic acid methyl ester

C13H16O4 (236.1049)


   

Ortho-(pentamethyldisilanyl)benzaldehyde

Ortho-(pentamethyldisilanyl)benzaldehyde

C12H20OSi2 (236.1053)


   

1,3-Dihydro-3,3-dimethyl-1-trimethylsilyl-3-silaisobenzofuran

1,3-Dihydro-3,3-dimethyl-1-trimethylsilyl-3-silaisobenzofuran

C12H20OSi2 (236.1053)


   

3-Dimethylallyl-4-hydroxymandelic acid

3-Dimethylallyl-4-hydroxymandelic acid

C13H16O4 (236.1049)


   

2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione

2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione

C13H16O4 (236.1049)


   

monopentyl phthalate

monopentyl phthalate

C13H16O4 (236.1049)


A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of pentanol.

   

Proglobeflowery acid

Proglobeflowery acid

C13H16O4 (236.1049)


D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens

   

FD-211

FD-211

C13H16O4 (236.1049)


A delta-lactone that is 3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one substituted by a hydroxy group at position 3 and propenyl groups at positions 5 and 7. Isolated from the fermantation broth of Myceliophthora lutea TF-0409, it exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells.

   

(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2,5-dimethyl-4-oxofuran-3-carboxylic acid

(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2,5-dimethyl-4-oxofuran-3-carboxylic acid

C13H16O4 (236.1049)


   

2,4-dihydroxy-3,5-dimethyl-6-(3-oxobutan-2-yl)benzaldehyde

2,4-dihydroxy-3,5-dimethyl-6-(3-oxobutan-2-yl)benzaldehyde

C13H16O4 (236.1049)


   

propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C13H16O4 (236.1049)


   

butyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

butyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C13H16O4 (236.1049)


   

(4s)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(4s)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O4 (236.1049)


   

(3r)-8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-2-benzopyran-1-one

(3r)-8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-2-benzopyran-1-one

C13H16O4 (236.1049)


   

1,6,6-trimethyl-7-(3-oxobut-1-enyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]octan-5-one

NA

C13H16O4 (236.1049)


{"Ingredient_id": "HBIN001773","Ingredient_name": "1,6,6-trimethyl-7-(3-oxobut-1-enyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]octan-5-one","Alias": "NA","Ingredient_formula": "C13H16O4","Ingredient_Smile": "CC(=O)C=CC12C(C(=O)C3C(C1(O2)C)O3)(C)C","Ingredient_weight": "236.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5371272","DrugBank_id": "NA"}

   

2-phenyl-propane-1,1-diol diacetate

NA

C13H16O4 (236.1049)


{"Ingredient_id": "HBIN006322","Ingredient_name": "2-phenyl-propane-1,1-diol diacetate","Alias": "NA","Ingredient_formula": "C13H16O4","Ingredient_Smile": "CC(C1=CC=CC=C1)C(OC(=O)C)OC(=O)C","Ingredient_weight": "236.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40745","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "239459","DrugBank_id": "NA"}

   

asarumin b

NA

C13H16O4 (236.1049)


{"Ingredient_id": "HBIN017032","Ingredient_name": "asarumin b","Alias": "NA","Ingredient_formula": "C13H16O4","Ingredient_Smile": "CC(C)C(C(=O)OC)OC(=O)C1=CC=CC=C1","Ingredient_weight": "236.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1837","TCMSP_id": "NA","TCM_ID_id": "11834;16527","PubChem_id": "130891","DrugBank_id": "NA"}

   

1-[(3s,4r)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

1-[(3s,4r)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

C13H16O4 (236.1049)


   

1-(5-acetyl-2,4-dihydroxyphenyl)-3-methylbutan-1-one

1-(5-acetyl-2,4-dihydroxyphenyl)-3-methylbutan-1-one

C13H16O4 (236.1049)


   

1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)but-2-en-1-one

1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)but-2-en-1-one

C13H16O4 (236.1049)


   

(5r)-5-[(1z,3s)-3-[(2r,3r)-3-(buta-1,2-dien-1-yl)oxiran-2-yl]-3-hydroxyprop-1-en-1-yl]oxolan-2-one

(5r)-5-[(1z,3s)-3-[(2r,3r)-3-(buta-1,2-dien-1-yl)oxiran-2-yl]-3-hydroxyprop-1-en-1-yl]oxolan-2-one

C13H16O4 (236.1049)


   

8-hydroxy-3-(2-hydroxypropyl)-7-methyl-3,4-dihydro-2-benzopyran-1-one

8-hydroxy-3-(2-hydroxypropyl)-7-methyl-3,4-dihydro-2-benzopyran-1-one

C13H16O4 (236.1049)


   

(3r)-8-hydroxy-3-[(2r)-2-hydroxypropyl]-7-methyl-3,4-dihydro-2-benzopyran-1-one

(3r)-8-hydroxy-3-[(2r)-2-hydroxypropyl]-7-methyl-3,4-dihydro-2-benzopyran-1-one

C13H16O4 (236.1049)


   

(2r,3s,7s,7ar)-3-hydroxy-2,7-bis[(1e)-prop-1-en-1-yl]-2h,3h,7h,7ah-furo[3,4-b]pyran-5-one

(2r,3s,7s,7ar)-3-hydroxy-2,7-bis[(1e)-prop-1-en-1-yl]-2h,3h,7h,7ah-furo[3,4-b]pyran-5-one

C13H16O4 (236.1049)


   

3-(3,4-dimethoxyphenyl)prop-2-en-1-yl acetate

3-(3,4-dimethoxyphenyl)prop-2-en-1-yl acetate

C13H16O4 (236.1049)


   

4-hydroxy-6-[(2r,3e,5e)-2-hydroxyhepta-3,5-dien-1-yl]-3-methylpyran-2-one

4-hydroxy-6-[(2r,3e,5e)-2-hydroxyhepta-3,5-dien-1-yl]-3-methylpyran-2-one

C13H16O4 (236.1049)


   

butyl 2-(4-methoxyphenyl)-2-oxoacetate

butyl 2-(4-methoxyphenyl)-2-oxoacetate

C13H16O4 (236.1049)


   

2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)benzaldehyde

2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)benzaldehyde

C13H16O4 (236.1049)


   

(1s,3r,4r,7s,8r)-7,8-dihydroxy-3-methyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridec-9-en-13-one

(1s,3r,4r,7s,8r)-7,8-dihydroxy-3-methyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridec-9-en-13-one

C13H16O4 (236.1049)


   

(5r,9s)-9-ethenyl-2-isopropyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione

(5r,9s)-9-ethenyl-2-isopropyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione

C13H16O4 (236.1049)


   

1-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)ethanone

1-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)ethanone

C13H16O4 (236.1049)


   

(3r,5r,7s,7as)-3-hydroxy-5,7-bis[(1e)-prop-1-en-1-yl]-3h,5h,7h,7ah-furo[3,4-b]pyran-2-one

(3r,5r,7s,7as)-3-hydroxy-5,7-bis[(1e)-prop-1-en-1-yl]-3h,5h,7h,7ah-furo[3,4-b]pyran-2-one

C13H16O4 (236.1049)


   

1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

C13H16O4 (236.1049)


   

3-(3-hydroxybutyl)-7-methoxy-3h-2-benzofuran-1-one

3-(3-hydroxybutyl)-7-methoxy-3h-2-benzofuran-1-one

C13H16O4 (236.1049)


   

9-ethenyl-2-isopropyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione

9-ethenyl-2-isopropyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione

C13H16O4 (236.1049)


   

5,7-dimethoxy-2,2-dimethylchromen-6-ol

5,7-dimethoxy-2,2-dimethylchromen-6-ol

C13H16O4 (236.1049)


   

8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-2-benzopyran-1-one

8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-2-benzopyran-1-one

C13H16O4 (236.1049)


   

methyl (4s)-4-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

methyl (4s)-4-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

C13H16O4 (236.1049)


   

methyl 2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O4 (236.1049)


   

7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O4 (236.1049)


   

4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid

4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid

C13H16O4 (236.1049)


   

(3r,6r,7r)-3,6-dimethyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-10,12-diol

(3r,6r,7r)-3,6-dimethyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-10,12-diol

C13H16O4 (236.1049)


   

(6s,7r)-6,7-dihydroxy-7-methyl-3-[(1e)-prop-1-en-1-yl]-5,6-dihydro-1h-isochromen-8-one

(6s,7r)-6,7-dihydroxy-7-methyl-3-[(1e)-prop-1-en-1-yl]-5,6-dihydro-1h-isochromen-8-one

C13H16O4 (236.1049)


   

(4e)-1-(2,4-dihydroxy-5-methylphenyl)-6-hydroxyhex-4-en-1-one

(4e)-1-(2,4-dihydroxy-5-methylphenyl)-6-hydroxyhex-4-en-1-one

C13H16O4 (236.1049)


   

1-[(2s)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

1-[(2s)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

C13H16O4 (236.1049)


   

7,8-dimethoxy-2,2-dimethylchromen-6-ol

7,8-dimethoxy-2,2-dimethylchromen-6-ol

C13H16O4 (236.1049)


   

3-[(2s)-2-hydroxypropyl]-4-(5-oxohexa-1,3-dien-1-yl)-5h-furan-2-one

3-[(2s)-2-hydroxypropyl]-4-(5-oxohexa-1,3-dien-1-yl)-5h-furan-2-one

C13H16O4 (236.1049)


   

(3e)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate

(3e)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate

C13H16O4 (236.1049)


   

methyl 4-hydroxy-3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]benzoate

methyl 4-hydroxy-3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]benzoate

C13H16O4 (236.1049)


   

3,6-dimethyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-10,12-diol

3,6-dimethyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-10,12-diol

C13H16O4 (236.1049)


   

4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate

4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate

C13H16O4 (236.1049)


   

methyl (3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

methyl (3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

C13H16O4 (236.1049)


   

1-(2,4-dihydroxy-5-methylphenyl)-3-hydroxyhex-4-en-1-one

1-(2,4-dihydroxy-5-methylphenyl)-3-hydroxyhex-4-en-1-one

C13H16O4 (236.1049)


   

(3r,4s)-3-hydroxy-4-methyl-3-[(2e,4e,6e)-octa-2,4,6-trienoyl]oxolan-2-one

(3r,4s)-3-hydroxy-4-methyl-3-[(2e,4e,6e)-octa-2,4,6-trienoyl]oxolan-2-one

C13H16O4 (236.1049)


   

(3e)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one

(3e)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one

C13H16O4 (236.1049)


   

methyl (2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl (2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O4 (236.1049)


   

(1s)-1-[4-(acetyloxy)phenyl]propyl acetate

(1s)-1-[4-(acetyloxy)phenyl]propyl acetate

C13H16O4 (236.1049)


   

methyl (2s)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl (2s)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O4 (236.1049)


   

3-[(1e,6e)-8-hydroxyocta-1,6-dien-1-yl]-4-methylfuran-2,5-dione

3-[(1e,6e)-8-hydroxyocta-1,6-dien-1-yl]-4-methylfuran-2,5-dione

C13H16O4 (236.1049)


   

3-hydroxy-5,7-bis(prop-1-en-1-yl)-3h,5h,7h,7ah-furo[3,4-b]pyran-2-one

3-hydroxy-5,7-bis(prop-1-en-1-yl)-3h,5h,7h,7ah-furo[3,4-b]pyran-2-one

C13H16O4 (236.1049)


   

methyl 3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)benzoate

methyl 3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)benzoate

C13H16O4 (236.1049)


   

methyl 3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

methyl 3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

C13H16O4 (236.1049)


   

(2e)-1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)but-2-en-1-one

(2e)-1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)but-2-en-1-one

C13H16O4 (236.1049)


   

3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid

3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid

C13H16O4 (236.1049)


   

(2e)-1-(2,4,6-trimethoxyphenyl)but-2-en-1-one

(2e)-1-(2,4,6-trimethoxyphenyl)but-2-en-1-one

C13H16O4 (236.1049)


   

(2e)-3-[4-oxo-5-(propan-2-ylidene)-2-propylfuran-3-yl]prop-2-enoic acid

(2e)-3-[4-oxo-5-(propan-2-ylidene)-2-propylfuran-3-yl]prop-2-enoic acid

C13H16O4 (236.1049)


   

3-(8-hydroxyocta-1,6-dien-1-yl)-4-methylfuran-2,5-dione

3-(8-hydroxyocta-1,6-dien-1-yl)-4-methylfuran-2,5-dione

C13H16O4 (236.1049)


   

1-(2,4-dihydroxy-5-methylphenyl)-6-hydroxyhex-4-en-1-one

1-(2,4-dihydroxy-5-methylphenyl)-6-hydroxyhex-4-en-1-one

C13H16O4 (236.1049)


   

(4r)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(4r)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O4 (236.1049)


   

3-[4-oxo-5-(propan-2-ylidene)-2-propylfuran-3-yl]prop-2-enoic acid

3-[4-oxo-5-(propan-2-ylidene)-2-propylfuran-3-yl]prop-2-enoic acid

C13H16O4 (236.1049)


   

methyl 4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)benzoate

methyl 4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)benzoate

C13H16O4 (236.1049)


   

1-[(2s)-2-[(2s)-1,2-dihydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone

1-[(2s)-2-[(2s)-1,2-dihydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone

C13H16O4 (236.1049)


   

(4e)-1-(2,4-dihydroxy-5-methylphenyl)-3-hydroxyhex-4-en-1-one

(4e)-1-(2,4-dihydroxy-5-methylphenyl)-3-hydroxyhex-4-en-1-one

C13H16O4 (236.1049)


   

6,7-dihydroxy-7-methyl-3-(prop-1-en-1-yl)-5,6-dihydro-1h-isochromen-8-one

6,7-dihydroxy-7-methyl-3-(prop-1-en-1-yl)-5,6-dihydro-1h-isochromen-8-one

C13H16O4 (236.1049)


   

3-hydroxy-5,7-bis[(1e)-prop-1-en-1-yl]-3h,5h,7h,7ah-furo[3,4-b]pyran-2-one

3-hydroxy-5,7-bis[(1e)-prop-1-en-1-yl]-3h,5h,7h,7ah-furo[3,4-b]pyran-2-one

C13H16O4 (236.1049)


   

(2z)-1-(2,4,6-trimethoxyphenyl)but-2-en-1-one

(2z)-1-(2,4,6-trimethoxyphenyl)but-2-en-1-one

C13H16O4 (236.1049)


   

2,6-dimethoxy-4-(prop-2-en-1-yl)phenyl acetate

2,6-dimethoxy-4-(prop-2-en-1-yl)phenyl acetate

C13H16O4 (236.1049)


   

4-butanoyl-3-methoxy-5-methylbenzoic acid

4-butanoyl-3-methoxy-5-methylbenzoic acid

C13H16O4 (236.1049)


   

3-hydroxy-2,7-bis(prop-1-en-1-yl)-2h,3h,7h,7ah-furo[3,4-b]pyran-5-one

3-hydroxy-2,7-bis(prop-1-en-1-yl)-2h,3h,7h,7ah-furo[3,4-b]pyran-5-one

C13H16O4 (236.1049)


   

methyl 8-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

methyl 8-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carboxylate

C13H16O4 (236.1049)


   

2,4-dihydroxy-6-methyl-3-(3-methylbut-2-en-1-yl)benzoic acid

2,4-dihydroxy-6-methyl-3-(3-methylbut-2-en-1-yl)benzoic acid

C13H16O4 (236.1049)


   

6,7-dimethoxy-2,2-dimethyl-3h-1-benzopyran-4-one

6,7-dimethoxy-2,2-dimethyl-3h-1-benzopyran-4-one

C13H16O4 (236.1049)


   

7,8-dihydroxy-3-methyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridec-9-en-13-one

7,8-dihydroxy-3-methyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridec-9-en-13-one

C13H16O4 (236.1049)


   

(2r,3r,7s,7ar)-3-hydroxy-2,7-bis(prop-1-en-1-yl)-2h,3h,7h,7ah-furo[3,4-b]pyran-5-one

(2r,3r,7s,7ar)-3-hydroxy-2,7-bis(prop-1-en-1-yl)-2h,3h,7h,7ah-furo[3,4-b]pyran-5-one

C13H16O4 (236.1049)


   

3-hydroxy-4-methyl-3-(octa-2,4,6-trienoyl)oxolan-2-one

3-hydroxy-4-methyl-3-(octa-2,4,6-trienoyl)oxolan-2-one

C13H16O4 (236.1049)


   

1-[(3s,4s)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

1-[(3s,4s)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

C13H16O4 (236.1049)


   

1-(3,6-dihydroxy-2-isopropyl-2,3-dihydro-1-benzofuran-5-yl)ethanone

1-(3,6-dihydroxy-2-isopropyl-2,3-dihydro-1-benzofuran-5-yl)ethanone

C13H16O4 (236.1049)


   

1-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)butan-1-one

1-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)butan-1-one

C13H16O4 (236.1049)


   

1-[(2r,3r)-3,6-dihydroxy-2-isopropyl-2,3-dihydro-1-benzofuran-5-yl]ethanone

1-[(2r,3r)-3,6-dihydroxy-2-isopropyl-2,3-dihydro-1-benzofuran-5-yl]ethanone

C13H16O4 (236.1049)


   

1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethanone

1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethanone

C13H16O4 (236.1049)