Exact Mass: 140.080630356

Exact Mass Matches: 140.080630356

Found 193 metabolites which its exact mass value is equals to given mass value 140.080630356, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

cis-1,2-Dihydro-3-ethylcatechol

cis-2,3-Dihydroxy-2,3-dihydroethylbenzene

C8H12O2 (140.0837252)


   

2-Propyl-2,4-pentadienoic acid

2-Propyl-2,4-pentadienoic acid, (e)-isomer

C8H12O2 (140.0837252)


2-Propyl-2,4-pentadienoic acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)

   

7-Hydroxy-6-methylhepta-3,5-dienal

(E,E)-7-hydroxy-6-methylhepta-3,5-dienal

C8H12O2 (140.0837252)


   

4-Vinylcyclohexene dioxide

3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane

C8H12O2 (140.0837252)


D009676 - Noxae > D002273 - Carcinogens

   

Ethyl sorbate

2,4-Hexadienoic acid, ethyl ester, (e,e)- (9ci)

C8H12O2 (140.0837252)


Ethyl sorbate is a flavouring ingredient. Flavouring ingredient

   

2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one

2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one

C8H12O2 (140.0837252)


2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one is found in coffee and coffee products. Aroma constituent of roasted Arabica coffee beans as mixed cis- and trans- isomers. 2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one is a flavouring agent. Aroma constituent of roasted Arabica coffee beans as mixed cis- and trans- isomers. Flavouring agent. 2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one is found in coffee and coffee products.

   

4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one

2-Cyclopenten-1-one, 4-ethyl-2-hydroxy-3-methyl

C8H12O2 (140.0837252)


4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one is found in coffee and coffee products. 4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one is a volatile constituent of roasted Arabica coffee beans and heated invert sugar solutions with sweet malty odour. Volatile constituent of roasted Arabica coffee beans and heated invert sugar solutions with sweet malty odour. 4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one is found in coffee and coffee products.

   

3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one

2-Cyclopenten-1-one, 2-hydroxy-3-ethyl-4-methyl

C8H12O2 (140.0837252)


3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one is a flavouring agent Flavouring agent

   

2,4-Hexadienyl acetate

Acetic acid, 2,4-hexadien-1-ol ester

C8H12O2 (140.0837252)


2,4-Hexadienyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

3-Ethyl-5-methyl-1,2-cyclopentanedione

5-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one, 9ci

C8H12O2 (140.0837252)


3-Ethyl-5-methyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Ethyl-5-methyl-1,2-cyclopentanedione is present in roast Arabica coffeee bean volatiles. 3-Ethyl-5-methyl-1,2-cyclopentanedione is a flavouring agent. Present in roast Arabica coffeee bean volatiles. Flavouring agent. 3-Ethyl-5-methyl-1,2-cyclopentanedione is found in coffee and coffee products.

   

Ethyl 2-methyl-3,4-pentadienoate

3,4-Pentadienoic acid, 2-methyl-, ethyl ester

C8H12O2 (140.0837252)


Ethyl 2-methyl-3,4-pentadienoate is a flavouring ingredient. Flavouring ingredient

   

Allyl tiglate

2-Methyl-2-propenyl ester(e)-2-butenoic acid

C8H12O2 (140.0837252)


Allyl tiglate is a flavouring ingredient. Flavouring ingredient

   

3-Propyl-1,2-cyclopentanedione

2-Hydroxy-3-propyl-2-cyclopenten-1-one, 9ci

C8H12O2 (140.0837252)


Aroma constituent of Arabica coffee. 3-Propyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Propyl-1,2-cyclopentanedione is found in coffee and coffee products. Aroma constituent of Arabica coffee.

   

3,5,5-Trimethyl-1,2-cyclopentanedione

2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one, 9ci

C8H12O2 (140.0837252)


Aroma constituent of roasted Arabica coffee beans. 3,5,5-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,5,5-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. Aroma constituent of roasted Arabica coffee beans.

   

3-Isopropyl-1,2-cyclopentanedione

2-Hydroxy-3-(1-methylethyl)-2-cyclopenten-1-one, 9ci

C8H12O2 (140.0837252)


3-Isopropyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Isopropyl-1,2-cyclopentanedione is a volatile constituent of roasted Arabica coffee beans. Volatile constituent of roasted Arabica coffee beans. 3-Isopropyl-1,2-cyclopentanedione is found in coffee and coffee products.

   

3,4,4-Trimethyl-1,2-cyclopentanedione

2-Hydroxy-3,4,4-trimethyl-2-cyclopenten-1-one

C8H12O2 (140.0837252)


Aroma constituent of roasted Arabica coffee beans with sweet, burnt odour. 3,4,4-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,4,4-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. Aroma constituent of roasted Arabica coffee beans with sweet, burnt odour.

   

2-Octynoic acid

2-Octyn-1-oic acid

C8H12O2 (140.0837252)


   

5,5-Dimethyl-1,3-cyclohexanedione

5,5-Dimethylcyclohexane-1,3-dione

C8H12O2 (140.0837252)


   

5-ethylcyclohexane-1,3-dione

5-ethylcyclohexane-1,3-dione

C8H12O2 (140.0837252)


   

6-Propyl-5,6-dihydro-2H-pyran-2-one

6-Propyl-5,6-dihydro-2H-pyran-2-one

C8H12O2 (140.0837252)


   

5-methoxysuberenone

5-methoxysuberenone

C8H12O2 (140.0837252)


   

2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl)

2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl)

C8H12O2 (140.0837252)


   

1-Aethinyl-cyclohexandiol-(1,4)

1-Aethinyl-cyclohexandiol-(1,4)

C8H12O2 (140.0837252)


   

6-ethyl-2-methyl-2,3-dihydropyran-4-one

6-ethyl-2-methyl-2,3-dihydropyran-4-one

C8H12O2 (140.0837252)


   

1r-Aethinyl-cyclohexandiol-(1t,2c)

1r-Aethinyl-cyclohexandiol-(1t,2c)

C8H12O2 (140.0837252)


   

3-ethyl-2-hydroxy-5-methylcyclopent-2-en-1-one

3-ethyl-2-hydroxy-5-methylcyclopent-2-en-1-one

C8H12O2 (140.0837252)


   

bicyclo[2.2.1]heptane-2-carboxylic acid

bicyclo[2.2.1]heptane-2-carboxylic acid

C8H12O2 (140.0837252)


   

3-Isopropyl-2-penten-4-olide

3-Isopropyl-2-penten-4-olide

C8H12O2 (140.0837252)


   

1-(4-Hydroxy-cyclohex-1-enyl)-aethanon|1-(4-hydroxy-cyclohex-1-enyl)-ethanone|1-acetylcyclohex-1-ene-4-ol

1-(4-Hydroxy-cyclohex-1-enyl)-aethanon|1-(4-hydroxy-cyclohex-1-enyl)-ethanone|1-acetylcyclohex-1-ene-4-ol

C8H12O2 (140.0837252)


   

(5S,6R)-3,5,6-trimethyl-5,6-dihydropyran-2-one|(5S,6R)-5,6-dihydro-3,5,6-trimethylpyran-2-one

(5S,6R)-3,5,6-trimethyl-5,6-dihydropyran-2-one|(5S,6R)-5,6-dihydro-3,5,6-trimethylpyran-2-one

C8H12O2 (140.0837252)


   

3-(4-methylfuran-3-yl)propan-1-ol

3-(4-methylfuran-3-yl)propan-1-ol

C8H12O2 (140.0837252)


   

Ac-(??)-1-Hexyn-3-ol

Ac-(??)-1-Hexyn-3-ol

C8H12O2 (140.0837252)


   

UNII-VBS5ZL2ABA

UNII-VBS5ZL2ABA

C8H12O2 (140.0837252)


   

4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-

4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-

C8H12O2 (140.0837252)


   

4-Propylideneoxan-2-one

4-Propylideneoxan-2-one

C8H12O2 (140.0837252)


   

SCHEMBL21958195

SCHEMBL21958195

C8H12O2 (140.0837252)


   

2-(cyclopent-1-en-1-yl)propanoic acid

2-(cyclopent-1-en-1-yl)propanoic acid

C8H12O2 (140.0837252)


   

2-Hydroxy-3-propyl-2-cyclopenten-1-one

2-Hydroxy-3-propyl-2-cyclopenten-1-one

C8H12O2 (140.0837252)


   

3-hydroxyocta-1,6E-dien-5-one

3-hydroxyocta-1,6E-dien-5-one

C8H12O2 (140.0837252)


   

4Z,7-octadienoic acid

4Z,7-octadienoic acid

C8H12O2 (140.0837252)


   

5,7-octadienoic acid

5,7-octadienoic acid

C8H12O2 (140.0837252)


   

2-octynoic acid

2-octynoic acid

C8H12O2 (140.0837252)


Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.

   

2E,7-Octadienoic acid

2E,7-Octadienoic acid

C8H12O2 (140.0837252)


   

2E,5-Hexadienyl acetate

2E,5-Hexadienyl acetate

C8H12O2 (140.0837252)


   

2E,4E-Hexadienyl acetate

2E,4E-Hexadienyl acetate

C8H12O2 (140.0837252)


   

4-oxo-2E-Octenal

4-oxo-2E-Octenal

C8H12O2 (140.0837252)


   

C8:2n-1,4

4Z,7-octadienoic acid

C8H12O2 (140.0837252)


   

C8:2n-1,3

5,7-octadienoic acid

C8H12O2 (140.0837252)


   

Pentylpropiolic acid

Pentylpropiolic acid

C8H12O2 (140.0837252)


   

7-octynoic acid

7-octynoic acid

C8H12O2 (140.0837252)


   
   
   

FEMA 3454

5-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one, 9ci

C8H12O2 (140.0837252)


   

fema 3678

3,4-Pentadienoic acid, 2-methyl-, ethyl ester

C8H12O2 (140.0837252)


   

allyl tiglate

2-Methyl-2-propenyl ester(e)-2-butenoic acid

C8H12O2 (140.0837252)


   

2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one

2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one

C8H12O2 (140.0837252)


   

4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one

2-Cyclopenten-1-one, 4-ethyl-2-hydroxy-3-methyl

C8H12O2 (140.0837252)


   

Ethyl Sorbate

2,4-Hexadienoic acid, ethyl ester, (e,e)- (9ci)

C8H12O2 (140.0837252)


A fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol.

   

FA 8:2

3‑(cyclo­pent-2-en-1-yl)-propa­noic acid

C8H12O2 (140.0837252)


   

FOH 8:3;O

(3E,5E)-7-hydroxy-6-methylhepta-3,5-dienal;7-hydroxy-6-methylhepta-3,5-dienal

C8H12O2 (140.0837252)


   

FAL 8:2;O

4-oxo-2E-Octenal

C8H12O2 (140.0837252)


   

FAL 8:2

4-octenedial

C8H12O2 (140.0837252)


   

WE 8:2

prop-2-en-1-yl (2Z)-2-methylbut-2-enoate

C8H12O2 (140.0837252)


   

SFE 8:2

Ethyl 2-methyl-3,4-pentadienoate

C8H12O2 (140.0837252)


   

Norbornane-2-carboxylic acid

Norbornane-2-carboxylic acid

C8H12O2 (140.0837252)


   

Methallyl methacrylate

Methallyl methacrylate

C8H12O2 (140.0837252)


   

1-Carbomethoxy-3-cyclohexene

3-Cyclohexene-1-carboxylic acid, methyl ester

C8H12O2 (140.0837252)


   

2H-Pyran-2-one,3,6-dihydro-4,6,6-trimethyl-

2H-Pyran-2-one,3,6-dihydro-4,6,6-trimethyl-

C8H12O2 (140.0837252)


   

2,5-Dimethylcyclohexane-1,3-dione

2,5-Dimethylcyclohexane-1,3-dione

C8H12O2 (140.0837252)


   

3,4,4-trimethyl cyclopentane-1,2-dione

3,4,4-trimethyl cyclopentane-1,2-dione

C8H12O2 (140.0837252)


   

3-FLUORO-2-METHYL-PHENYL-HYDRAZINE

3-FLUORO-2-METHYL-PHENYL-HYDRAZINE

C7H9FN2 (140.0749726)


   

2-Acetylcyclohexanone

2-Acetylcyclohexanone

C8H12O2 (140.0837252)


   

Ethyl cyclobutylideneacetate

Ethyl cyclobutylideneacetate

C8H12O2 (140.0837252)


   

2-ETHOXYCYCLOHEX-2-ENONE

2-ETHOXYCYCLOHEX-2-ENONE

C8H12O2 (140.0837252)


   

3-FLUORO-N-METHYLPYRID-2-YLMETHYLAMINE

3-FLUORO-N-METHYLPYRID-2-YLMETHYLAMINE

C7H9FN2 (140.0749726)


   

(3,3-Dimethoxy-prop-1-ynyl)-cyctopropane

(3,3-Dimethoxy-prop-1-ynyl)-cyctopropane

C8H12O2 (140.0837252)


   

(2S)-Bicyclo[2.2.1]heptane-2-carboxylic acid

(2S)-Bicyclo[2.2.1]heptane-2-carboxylic acid

C8H12O2 (140.0837252)


   

2,2-dimethylcyclohexane-1,3-dione

2,2-dimethylcyclohexane-1,3-dione

C8H12O2 (140.0837252)


   

3-ALLYLPENTANE-2,4-DIONE

3-ALLYLPENTANE-2,4-DIONE

C8H12O2 (140.0837252)


   

Methyl 2-ethenyl-1-Methylcyclopropane-1-carboxylate

Methyl 2-ethenyl-1-Methylcyclopropane-1-carboxylate

C8H12O2 (140.0837252)


   

3-ETHOXY-2-METHYL-2-CYCLOPENTEN-1-ONE

3-ETHOXY-2-METHYL-2-CYCLOPENTEN-1-ONE

C8H12O2 (140.0837252)


   

2-(propargyloxy)tetrahydropyran

2-(propargyloxy)tetrahydropyran

C8H12O2 (140.0837252)


   

1 5-DIMETHOXY-1 4-CYCLOHEXADIENE

1 5-DIMETHOXY-1 4-CYCLOHEXADIENE

C8H12O2 (140.0837252)


   

3-ethoxy-2-cyclohexen-1-one

3-ethoxy-2-cyclohexen-1-one

C8H12O2 (140.0837252)


   

1-Methylcyclohex-3-Enecarboxylic Acid

1-Methylcyclohex-3-Enecarboxylic Acid

C8H12O2 (140.0837252)


   

1-cyclohexenylacetic acid

1-cyclohexenylacetic acid

C8H12O2 (140.0837252)


   

1,5-Cyclooctanedione

1,5-Cyclooctanedione

C8H12O2 (140.0837252)


   

1,1-dideuterio-2-phenoxyethanol

1,1-dideuterio-2-phenoxyethanol

C8H8D2O2 (140.080630356)


   

4,4-dimethyl-1,3-cyclohexanedione

4,4-dimethyl-1,3-cyclohexanedione

C8H12O2 (140.0837252)


   

1,3-Cyclooctadione

1,3-Cyclooctadione

C8H12O2 (140.0837252)


   

1-cyclohexenyl acetate

1-cyclohexenyl acetate

C8H12O2 (140.0837252)


   

(3-fluoro-benzyl)-hydrazine

(3-fluoro-benzyl)-hydrazine

C7H9FN2 (140.0749726)


   

2,4,5,6-Tetraaminopyrimidine

2,4,5,6-Tetraaminopyrimidine

C4H8N6 (140.0810408)


   

1-(2-FURAN-2-YL-6-NITRO-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID

1-(2-FURAN-2-YL-6-NITRO-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID

C8H12O2 (140.0837252)


   

2-Allyl-4-Pentenoic acid

2-Allyl-4-Pentenoic acid

C8H12O2 (140.0837252)


   

2-(aminomethyl)-4-fluoroaniline

2-(aminomethyl)-4-fluoroaniline

C7H9FN2 (140.0749726)


   

tuberose acetate

tuberose acetate

C8H12O2 (140.0837252)


   

Ethyl 3-cyclopentene-1-carboxylate

Ethyl 3-cyclopentene-1-carboxylate

C8H12O2 (140.0837252)


   

1-(5-Fluoropyridin-2-yl)ethanamine

1-(5-Fluoropyridin-2-yl)ethanamine

C7H9FN2 (140.0749726)


   

(1-Ethyl-1H-pyrazol-5-yl)boronic acid

(1-Ethyl-1H-pyrazol-5-yl)boronic acid

C5H9BN2O2 (140.0757044)


   

cyclopentyl prop-2-enoate

cyclopentyl prop-2-enoate

C8H12O2 (140.0837252)


   

1,2-Diamino-3-methyl-4-fluorobenzene

1,2-Diamino-3-methyl-4-fluorobenzene

C7H9FN2 (140.0749726)


   

Benzenemethanamine, 5-amino-2-fluoro- (9CI)

Benzenemethanamine, 5-amino-2-fluoro- (9CI)

C7H9FN2 (140.0749726)


   

Tetramethyl-1,3-cyclobutanedione

Tetramethyl-1,3-cyclobutanedione

C8H12O2 (140.0837252)


   

(4-FLUOROBENZYL)HYDRAZINE

(4-FLUOROBENZYL)HYDRAZINE

C7H9FN2 (140.0749726)


   

2-Fluoro-5-methylbenzene-1,4-diamine

2-Fluoro-5-methylbenzene-1,4-diamine

C7H9FN2 (140.0749726)


   

4-HYDROXYMETHYL-4-METHYL-CYCLOHEX-2-ENONE

4-HYDROXYMETHYL-4-METHYL-CYCLOHEX-2-ENONE

C8H12O2 (140.0837252)


   

1,3-Dimethyl-1H-pyrazol-4-ylboronic acid

1,3-Dimethyl-1H-pyrazol-4-ylboronic acid

C5H9BN2O2 (140.0757044)


   

(S)-1-(5-FLUOROPYRIDIN-2-YL)ETHANAMINE

(S)-1-(5-FLUOROPYRIDIN-2-YL)ETHANAMINE

C7H9FN2 (140.0749726)


   

4-Fluoro-5-methyl-1,2-benzenediamine

4-Fluoro-5-methyl-1,2-benzenediamine

C7H9FN2 (140.0749726)


   

(3-Fluoro-4-methylphenyl)hydrazine

(3-Fluoro-4-methylphenyl)hydrazine

C7H9FN2 (140.0749726)


   

2-(5-Fluoro-pyridin-3-yl)-ethylamine

2-(5-Fluoro-pyridin-3-yl)-ethylamine

C7H9FN2 (140.0749726)


   

(2-Fluorobenzyl)hydrazine

(2-Fluorobenzyl)hydrazine

C7H9FN2 (140.0749726)


   

Ethyl 1-Cyclopentene-1-Carboxylate

Ethyl 1-Cyclopentene-1-Carboxylate

C8H12O2 (140.0837252)


   

Acetic acid,2-cyclohexylidene-

Acetic acid,2-cyclohexylidene-

C8H12O2 (140.0837252)


   

Hydrazine, (2-fluoro-5-methylphenyl)- (9CI)

Hydrazine, (2-fluoro-5-methylphenyl)- (9CI)

C7H9FN2 (140.0749726)


   

1,2-epoxy-4-(epoxyethyl)cyclohexane

1,2-epoxy-4-(epoxyethyl)cyclohexane

C8H12O2 (140.0837252)


   

piperazine dihydrochloride monohydrate

piperazine dihydrochloride monohydrate

C4H13ClN2O (140.0716358)


   

1,2,5,6-diepoxycyclooctane

1,2,5,6-diepoxycyclooctane

C8H12O2 (140.0837252)


   

Bicyclo[2.2.1]heptane-1-carboxylicacid

Bicyclo[2.2.1]heptane-1-carboxylicacid

C8H12O2 (140.0837252)


   

(1-Ethyl-1H-pyrazol-4-yl)boronic acid

(1-Ethyl-1H-pyrazol-4-yl)boronic acid

C5H9BN2O2 (140.0757044)


   

3-Fluoro-N,N-dimethyl-2-pyridinamine

3-Fluoro-N,N-dimethyl-2-pyridinamine

C7H9FN2 (140.0749726)


   

3-Acetoxycyclohexene

3-Acetoxycyclohexene

C8H12O2 (140.0837252)


   

2-Hexynoicacid, ethyl ester

2-Hexynoicacid, ethyl ester

C8H12O2 (140.0837252)


   

2-Heptynoic acid,methyl ester

2-Heptynoic acid,methyl ester

C8H12O2 (140.0837252)


   

4-HYDRAZINO-6-METHYL-1,3,5-TRIAZIN-2-AMINE

4-HYDRAZINO-6-METHYL-1,3,5-TRIAZIN-2-AMINE

C4H8N6 (140.0810408)


   

Bis(2H4)ammonium sulfate

Bis(2H4)ammonium sulfate

D8N2O4S (140.070694224)


   

1-(6-fluoropyridin-3-yl)ethanamine

1-(6-fluoropyridin-3-yl)ethanamine

C7H9FN2 (140.0749726)


   

4-methoxybenzyl-α,α-d2 alcohol

4-methoxybenzyl-α,α-d2 alcohol

C8H8D2O2 (140.080630356)


   

1,4-Cyclohexanediol, 1-ethynyl-, trans- (8CI,9CI)

1,4-Cyclohexanediol, 1-ethynyl-, trans- (8CI,9CI)

C8H12O2 (140.0837252)


   

6-Methyl-3-heptene-2,5-dione

6-Methyl-3-heptene-2,5-dione

C8H12O2 (140.0837252)


   

3-Propyl-1,2-cyclopentanedione

3-Propyl-1,2-cyclopentanedione

C8H12O2 (140.0837252)


   

1,2-Dimethyl-cyclopent-2-enecarboxylic acid

1,2-Dimethyl-cyclopent-2-enecarboxylic acid

C8H12O2 (140.0837252)


   

2-oxaspiro[3.5]nonan-7-one

2-oxaspiro[3.5]nonan-7-one

C8H12O2 (140.0837252)


   

E-3,6-dioxo-4-octene

E-3,6-dioxo-4-octene

C8H12O2 (140.0837252)


   

(1R)-1-(5-FLUORO(2-PYRIDYL))ETHYLAMINE

(1R)-1-(5-FLUORO(2-PYRIDYL))ETHYLAMINE

C7H9FN2 (140.0749726)


   

1-Cyclobutylbutane-1,3-dione

1-Cyclobutylbutane-1,3-dione

C8H12O2 (140.0837252)


   

1,3-DIMETHYLPYRAZOLE-5-BORONIC ACID

1,3-DIMETHYLPYRAZOLE-5-BORONIC ACID

C5H9BN2O2 (140.0757044)


   

1,5-dimethyl-1H-pyrazol-4-ylboronic acid

1,5-dimethyl-1H-pyrazol-4-ylboronic acid

C5H9BN2O2 (140.0757044)


   

N-(Trimethylsilyl)imidazole

N-(Trimethylsilyl)imidazole

C6H12N2Si (140.0769712)


   

SPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID

SPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID

C8H12O2 (140.0837252)


   

1,2-Dimethoxy(4,5-2H2)benzene

1,2-Dimethoxy(4,5-2H2)benzene

C8H8D2O2 (140.080630356)


   

1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI)

1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI)

C8H12O2 (140.0837252)


   

exo-2-norbornyl formate

exo-2-norbornyl formate

C8H12O2 (140.0837252)


   

trimethylsilylpyrazole

trimethylsilylpyrazole

C6H12N2Si (140.0769712)


   

(4-Fluoro-2-methylphenyl)-hydrazine

(4-Fluoro-2-methylphenyl)-hydrazine

C7H9FN2 (140.0749726)


   

2(3H)-Benzofuranone,hexahydro-, (3aR,7aS)-rel-

2(3H)-Benzofuranone,hexahydro-, (3aR,7aS)-rel-

C8H12O2 (140.0837252)


   

Methyl 1-cyclohexene-1-carboxylate

Methyl 1-cyclohexene-1-carboxylate

C8H12O2 (140.0837252)


   

3-Oxabicyclo[3.3.1]nonan-9-one

3-Oxabicyclo[3.3.1]nonan-9-one

C8H12O2 (140.0837252)


   

(2-fluoro-5-methylpyridin-3-yl)methanamine

(2-fluoro-5-methylpyridin-3-yl)methanamine

C7H9FN2 (140.0749726)


   

2-amino-6-fluorobenzylamine

2-amino-6-fluorobenzylamine

C7H9FN2 (140.0749726)


   

Allyl 2-methylisocrotonate

Allyl 2-methylisocrotonate

C8H12O2 (140.0837252)


   

Oct-4-ene-1,8-dial

Oct-4-ene-1,8-dial

C8H12O2 (140.0837252)


   

Octadienoic acid

Octadienoic acid

C8H12O2 (140.0837252)


   

Pyrazole, 1-(trimethylsilyl)-

Pyrazole, 1-(trimethylsilyl)-

C6H12N2Si (140.0769712)


   

5-Methyl-5-prop-2-enyloxolan-2-one

5-Methyl-5-prop-2-enyloxolan-2-one

C8H12O2 (140.0837252)


   

Propenenitrile, 2-trimethylsilylamino-

Propenenitrile, 2-trimethylsilylamino-

C6H12N2Si (140.0769712)


   
   
   

cis-Ethylbenzene dihydrodiol

cis-Ethylbenzene dihydrodiol

C8H12O2 (140.0837252)


   

UNII:596C064IG4

3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane

C8H12O2 (140.0837252)


D009676 - Noxae > D002273 - Carcinogens

   

cis-1,2-Dihydro-3-ethylcatechol

cis-1,2-Dihydro-3-ethylcatechol

C8H12O2 (140.0837252)


   

(E,E)-7-hydroxy-6-methylhepta-3,5-dienal

(E,E)-7-hydroxy-6-methylhepta-3,5-dienal

C8H12O2 (140.0837252)


   

(3E,5E)-7-hydroxy-6-methylhepta-3,5-dien-2-one

(3E,5E)-7-hydroxy-6-methylhepta-3,5-dien-2-one

C8H12O2 (140.0837252)


   

2,4-Hexadienyl acetate

2,4-Hexadienyl acetate

C8H12O2 (140.0837252)


An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of hexa-2,4-dien-1-ol.

   

(E,E)-2,4-hexadienyl acetate

(E,E)-2,4-hexadienyl acetate

C8H12O2 (140.0837252)


A 2,4-hexadienyl acetate that has two trans double bonds at positions 2 and 4.

   

4-Methyl-3-ethylcyclopentane-1,2-dione

3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one

C8H12O2 (140.0837252)


   

2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one

2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one

C8H12O2 (140.0837252)


   

2,4-Diene-vpa

2-Propyl-2,4-pentadienoic acid

C8H12O2 (140.0837252)


   

3-Ethyl-5-methyl-1,2-cyclopentanedione

3-Ethyl-5-methyl-1,2-cyclopentanedione

C8H12O2 (140.0837252)


   

2-HYDROXY-3,4,4-TRIMETHYLCYCLOPENT-2-ENONE

2-HYDROXY-3,4,4-TRIMETHYLCYCLOPENT-2-ENONE

C8H12O2 (140.0837252)


   

4-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one

4-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one

C8H12O2 (140.0837252)


   

3-Isopropyl-1,2-cyclopentanedione

3-Isopropyl-1,2-cyclopentanedione

C8H12O2 (140.0837252)


   

3,5,5-Trimethyl-1,2-cyclopentanedione

3,5,5-Trimethyl-1,2-cyclopentanedione

C8H12O2 (140.0837252)


   
   
   

(6r)-6-propyl-5,6-dihydropyran-2-one

(6r)-6-propyl-5,6-dihydropyran-2-one

C8H12O2 (140.0837252)


   

3-Acetonylcyclopentanone

NA

C8H12O2 (140.0837252)


{"Ingredient_id": "HBIN007856","Ingredient_name": "3-Acetonylcyclopentanone","Alias": "NA","Ingredient_formula": "C8H12O2","Ingredient_Smile": "CC(=O)CC1CCC(=O)C1","Ingredient_weight": "140.18 g/mol","OB_score": "77.86100408","CAS_id": "NA","SymMap_id": "SMIT12530","TCMID_id": "NA","TCMSP_id": "MOL011659","TCM_ID_id": "NA","PubChem_id": "538191","DrugBank_id": "NA"}

   

(2e,6r)-6-hydroxyocta-2,7-dien-4-one

(2e,6r)-6-hydroxyocta-2,7-dien-4-one

C8H12O2 (140.0837252)


   

(5s,6r)-3,5,6-trimethyl-5,6-dihydropyran-2-one

(5s,6r)-3,5,6-trimethyl-5,6-dihydropyran-2-one

C8H12O2 (140.0837252)


   

3,5,6-trimethyl-5,6-dihydropyran-2-one

3,5,6-trimethyl-5,6-dihydropyran-2-one

C8H12O2 (140.0837252)


   

4-ethyl-5,5-dimethylfuran-2-one

4-ethyl-5,5-dimethylfuran-2-one

C8H12O2 (140.0837252)


   

5-hydroxy-2,3-dimethylcyclohex-2-en-1-one

5-hydroxy-2,3-dimethylcyclohex-2-en-1-one

C8H12O2 (140.0837252)


   

methyl cyclohex-2-ene-1-carboxylate

methyl cyclohex-2-ene-1-carboxylate

C8H12O2 (140.0837252)


   

(5s)-5-[(1z)-but-1-en-1-yl]oxolan-2-one

(5s)-5-[(1z)-but-1-en-1-yl]oxolan-2-one

C8H12O2 (140.0837252)


   

2-ethyl-4-hydroxycyclohex-2-en-1-one

2-ethyl-4-hydroxycyclohex-2-en-1-one

C8H12O2 (140.0837252)


   

5-(but-1-en-1-yl)oxolan-2-one

5-(but-1-en-1-yl)oxolan-2-one

C8H12O2 (140.0837252)


   

(4r)-2-ethyl-4-hydroxycyclohex-2-en-1-one

(4r)-2-ethyl-4-hydroxycyclohex-2-en-1-one

C8H12O2 (140.0837252)


   

4-oxooct-2-enal

4-oxooct-2-enal

C8H12O2 (140.0837252)


   

4-methoxycyclohept-4-en-1-one

4-methoxycyclohept-4-en-1-one

C8H12O2 (140.0837252)


   

(2e,4e)-octa-2,4-dienoic acid

(2e,4e)-octa-2,4-dienoic acid

C8H12O2 (140.0837252)


   

6-hydroxyocta-2,7-dien-4-one

6-hydroxyocta-2,7-dien-4-one

C8H12O2 (140.0837252)


   

octa-2,4-dienoic acid

octa-2,4-dienoic acid

C8H12O2 (140.0837252)