Exact Mass: 172.10395413400002

Exact Mass Matches: 172.10395413400002

Found 263 metabolites which its exact mass value is equals to given mass value 172.10395413400002, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Deoxypeganine

3-deoxyvasicine

C11H12N2 (172.1000432)


   

9-Oxo-nonanoic acid

8-Formyloctanoic acid

C9H16O3 (172.10993860000002)


9-oxo-nonanoic acid, also known as 8-Formyloctanoic acid or 9-Ketononanoate, is classified as a member of the medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 9-oxo-nonanoic acid is considered to be a slightly soluble (in water) and a weak acidic compound. 9-oxo-nonanoic acid can be synthesized from nonanoic acid. 9-oxo-nonanoic acid can be synthesized into 1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine. 9-oxo-nonanoic acid is a fatty acid lipid molecule. 9-oxo-nonanoic acid can be found in humans.

   

L-Capreomycidine

(2S,3R)-Capreomycidine

C6H12N4O2 (172.0960212)


   

SCHEMBL8767926

3-[(4R)-2-iminoimidazolidin-4-yl]-L-alanine

C6H12N4O2 (172.0960212)


   

iminoarginine

iminoarginine

C6H12N4O2 (172.0960212)


A dehydroamino acid that is arginine in which the amino group has been oxidised to the corresponding imine.

   

9-Oxononanoic acid

9-Oxononanoic acid

C9H16O3 (172.10993860000002)


A medium-chain oxo-fatty acid that is the 9-oxo derivative of nonanoic acid.

   

1,2,3,4-Tetrahydro-beta-carboline

9H-1,2,3,4-tetrahydropyrido(3,4-b)Indole

C11H12N2 (172.1000432)


Tetrahydro-b-carbolines (THbCs)are potential neuroactive alkaloids found in chocolate and cocoa. The formation of 1,2,3,4-tetrahydro-/3-carbolines (THBCs), via the Pictet-Spengler condensation of tryptamines with formaldehyde, has been demonstrated repeatedly in incubations of various mammalian tissues containing added indolethylamine substrate and the methyl donors .5-methyltetrahydrofolate (5-MTHF) or S-adenosylmethionine(SAM). It is concluded that the formation of these THBCs is an artifact produced by the enzymatic liberation of formaldehyde from the methyl donors and the subsequent non-enzymatic condensation of this formaldehyde with the indole substrates. The formation of THBCs in vivo has thus remained a point of contention. (PMID: 7213417). 1,2,3,4-Tetrahydro-beta-carboline is a biomarker for the consumption of beer Tetrahydro-b-carbolines (THbCs)are potential neuroactive alkaloids found in chocolate and cocoa. D009676 - Noxae > D009498 - Neurotoxins Tetrahydro-β-carboline (Tryptoline) is a metabolite of tryptamine, also is a competitive serotonin reuptake inhibitor with an Ki value of 6.1 μM[1].

   

4-Hydroperoxy-2-nonenal

4-Hydroxyperoxy-trans-2-nonenal

C9H16O3 (172.10993860000002)


This compound belongs to the family of Medium-chain Aldehydes. These are An aldehyde with a chain length containing between 6 and 12 carbon atoms.

   

2-Methylpropyl 3-hydroxy-2-methylidenebutanoate

2-Methylpropyl 3-hydroxy-2-methylidenebutanoic acid

C9H16O3 (172.10993860000002)


2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices. 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is a constituent of the oil of Anthemis nobilis (Roman chamomile). Constituent of the oil of Anthemis nobilis (Roman chamomile). 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices.

   

Butyl 3-hydroxy-2-methylidenebutanoate

Butyl 3-hydroxy-2-methylidenebutanoic acid

C9H16O3 (172.10993860000002)


Butyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices. Butyl 3-hydroxy-2-methylidenebutanoate is a constituent of the oil of Anthemis nobilis (Roman chamomile). Constituent of the oil of Anthemis nobilis (Roman chamomile). Butyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices.

   

Tetrahydrofurfuryl butyrate

Butanoic acid, (tetrahydro-2-furanyl)methyl ester

C9H16O3 (172.10993860000002)


Tetrahydrofurfuryl butyrate is a flavouring agent with heavy sweet odour resembling apricot/pineappl Flavouring agent with heavy sweet odour resembling apricot/pineapple

   

cis-3-Hexenyl lactate

(3Z)-Hex-3-en-1-yl 2-hydroxypropanoic acid

C9H16O3 (172.10993860000002)


cis-3-Hexenyl lactate is found in alcoholic beverages. cis-3-Hexenyl lactate is found in cognac. cis-3-Hexenyl lactate is a flavouring ingredient. Found in cognac. Flavouring ingredient

   

3-Methylbutyl 3-oxobutanoate

Butanoic acid, 3-oxo-, 3-methylbutyl ester

C9H16O3 (172.10993860000002)


3-Methylbutyl 3-oxobutanoate is a flavouring ingredient. Flavouring ingredient

   

Butyl levulinate

Pentanoic acid, 4-oxo-, butyl ester

C9H16O3 (172.10993860000002)


Butyl levulinate is a flavouring agent. Flavouring agent

   

5-Pentyl-1,4-dioxan-2-one

5-Pentyl-1,4-dioxan-2-one

C9H16O3 (172.10993860000002)


5-Pentyl-1,4-dioxan-2-one belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. 5-Pentyl-1,4-dioxan-2-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 5-Pentyl-1,4-dioxan-2-one, along with 6-pentyl-1,4-dioxan-2-one, are mixed isomers used in food flavouring (FEMA 2076; CAS 65504-96-3). Both have a fruity-winey, somewhat ethereal odour.

   

6-Pentyl-1,4-dioxan-2-one

6-Pentyl-1,4-dioxan-2-one

C9H16O3 (172.10993860000002)


6-Pentyl-1,4-dioxan-2-one belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. 6-Pentyl-1,4-dioxan-2-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 6-Pentyl-1,4-dioxan-2-one, along with 5-pentyl-1,4-dioxan-2-one, are mixed isomers used in food flavouring (FEMA 2076; CAS 65504-96-3). Both have a fruity-winey, somewhat ethereal odour.

   

1,1'-Azobis(N,N-dimethylformamide)

3-(N,N-Dimethylcarbamoylimido)-1,1-dimethylurea

C6H12N4O2 (172.0960212)


   

N-BENZYL-3-CYANOAZETIDINE

1-benzylazetidine-3-carbonitrile

C11H12N2 (172.1000432)


   

tetrahydropyridoindole

1H,2H,3H,3aH,4H-pyrrolo[2,3-f]quinoline

C11H12N2 (172.1000432)


   
   
   
   
   

3,5-Dimethyl-1-phenylpyrazole

3,5-Dimethyl-1-phenyl-1H-pyrazole

C11H12N2 (172.1000432)


   

1,7-dioxaspiro[5.5]undecan-5-ol

1,7-dioxaspiro[5.5]undecan-5-ol

C9H16O3 (172.10993860000002)


   

2-ethyl-4-methylquinazoline

2-ethyl-4-methylquinazoline

C11H12N2 (172.1000432)


   
   

(4-amino-5-oxo-tetrahydro-furan-2-ylmethyl)-guanidine|gamma-Hydroxy-arginin-lacton

(4-amino-5-oxo-tetrahydro-furan-2-ylmethyl)-guanidine|gamma-Hydroxy-arginin-lacton

C6H12N4O2 (172.0960212)


   
   

4-hydroxy-5-pentyloxolan-2-one

4-hydroxy-5-pentyloxolan-2-one

C9H16O3 (172.10993860000002)


   
   

rel-(1R,4aS,6S,7R,7aS)-Octahydro-7-methylcyclopenta[c]pyran-1,6-diol|scholarein C

rel-(1R,4aS,6S,7R,7aS)-Octahydro-7-methylcyclopenta[c]pyran-1,6-diol|scholarein C

C9H16O3 (172.10993860000002)


   
   

endo-2-Chlorobornane

endo-2-Chlorobornane

C10H17Cl (172.1018712)


   

(E,E)-4-hydroxymethyl-4,6-octadien-2,3-diol

(E,E)-4-hydroxymethyl-4,6-octadien-2,3-diol

C9H16O3 (172.10993860000002)


   

4-hydroxynon-2-enoic acid

4-hydroxynon-2-enoic acid

C9H16O3 (172.10993860000002)


A medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group.

   

1-Amino-2-(guanidinomethyl)cyclopropanecarboxylic acid

1-Amino-2-(guanidinomethyl)cyclopropanecarboxylic acid

C6H12N4O2 (172.0960212)


   

2-ISOPROPYL-5-OXOHEXANOIC ACID

2-ISOPROPYL-5-OXOHEXANOIC ACID

C9H16O3 (172.10993860000002)


   

Tetrahydro-4-hydroxy-6-methyl-2-(2-oxopropyl)-2H-pyran

Tetrahydro-4-hydroxy-6-methyl-2-(2-oxopropyl)-2H-pyran

C9H16O3 (172.10993860000002)


   
   
   
   

Deoxypeganin

Deoxyvasicine; DesoxyPeganin; Desoxypeganine; Pegene

C11H12N2 (172.1000432)


Deoxypeganine is a member of quinazolines. Deoxypeganine is a natural product found in Nitraria komarovii, Peganum harmala, and Peganum nigellastrum with data available.

   

4-HNA

4-hydroxy-2,3-trans-nonenoic acid

C9H16O3 (172.10993860000002)


4-hydroxynon-2-enoic acid is a medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group. It is an olefinic fatty acid, a hydroxy fatty acid, a medium-chain fatty acid and a straight-chain fatty acid.

   

AI3-19273

InChI=1/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3

C9H16O3 (172.10993860000002)


Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1]. Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1].

   

(E)-4-hydroxynon-2-enoic acid

NCGC00381397-01!(E)-4-hydroxynon-2-enoic acid

C9H16O3 (172.10993860000002)


   

Tryptoline

Noreleagnine

C11H12N2 (172.1000432)


D009676 - Noxae > D009498 - Neurotoxins Tetrahydro-β-carboline (Tryptoline) is a metabolite of tryptamine, also is a competitive serotonin reuptake inhibitor with an Ki value of 6.1 μM[1].

   

Desoxypeganine

Desoxypeganine

C11H12N2 (172.1000432)


Annotation level-1

   

FA 9:1+1O

FA 9:1+1O

C9H16O3 (172.10993860000002)


Annotation level-3

   
   

4-oxo-nonanoic acid

3-caproyl propionic acid

C9H16O3 (172.10993860000002)


   

5-oxo-nonanoic acid

4-n-valeryl butyric acid

C9H16O3 (172.10993860000002)


   

6-oxo-nonanoic acid

n-butyrl n-valeric acid

C9H16O3 (172.10993860000002)


   

7-oxo-nonanoic acid

6-propionyl n-caproic acid

C9H16O3 (172.10993860000002)


   
   
   
   
   
   
   
   
   

4-HPNE

4-hydroperoxy-2E-nonenal

C9H16O3 (172.10993860000002)


   

FEMA 3057

Butanoic acid, (tetrahydro-2-furanyl)methyl ester

C9H16O3 (172.10993860000002)


   

FEMA 3690

(3Z)-hex-3-en-1-yl 2-hydroxypropanoate

C9H16O3 (172.10993860000002)


   

Butyl levulinate

Pentanoic acid, 4-oxo-, butyl ester

C9H16O3 (172.10993860000002)


   

butyl 3-hydroxy-2-methylidenebutanoate

butyl 3-hydroxy-2-methylidenebutanoate

C9H16O3 (172.10993860000002)


   

2-methylpropyl 3-hydroxy-2-methylidenebutanoate

2-methylpropyl 3-hydroxy-2-methylidenebutanoate

C9H16O3 (172.10993860000002)


   
   

FA 9:1;O

7-methyl-6-oxo-octanoic acid

C9H16O3 (172.10993860000002)


   

(3R,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane

(3R,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane

C9H16O3 (172.10993860000002)


   

(3S,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane

(3S,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane

C9H16O3 (172.10993860000002)


   

(4R,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane

(4R,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane

C9H16O3 (172.10993860000002)


   

(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane

(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane

C9H16O3 (172.10993860000002)


   

2-METHYL-6-OXO-HEPTANOIC ACID METHYL ESTER

2-METHYL-6-OXO-HEPTANOIC ACID METHYL ESTER

C9H16O3 (172.10993860000002)


   

1-(1-Methyl-8-isoquinolinyl)methanamine

1-(1-Methyl-8-isoquinolinyl)methanamine

C11H12N2 (172.1000432)


   

2-Propenoic acid,2-butoxyethyl ester

2-Propenoic acid,2-butoxyethyl ester

C9H16O3 (172.10993860000002)


   

5-Methyl-1-(4-methylphenyl)-1H-pyrazole

5-Methyl-1-(4-methylphenyl)-1H-pyrazole

C11H12N2 (172.1000432)


   

3-(Dimethylamino)-2-phenylacrylonitrile

3-(Dimethylamino)-2-phenylacrylonitrile

C11H12N2 (172.1000432)


   

5,5-dimethyl-1,3-dioxane-2-propionaldehyde

5,5-dimethyl-1,3-dioxane-2-propionaldehyde

C9H16O3 (172.10993860000002)


   

(2Z)-4-(Tetrahydro-2H-pyran-2-yloxy)-2-buten-1-ol

(2Z)-4-(Tetrahydro-2H-pyran-2-yloxy)-2-buten-1-ol

C9H16O3 (172.10993860000002)


   

3-(diethylamino)propyl isothiocyanate

3-(diethylamino)propyl isothiocyanate

C8H16N2S (172.1034136)


   

N-METHYL-1-(QUINOLIN-3-YL)METHANAMINE HYDROCHLORIDE

N-METHYL-1-(QUINOLIN-3-YL)METHANAMINE HYDROCHLORIDE

C11H12N2 (172.1000432)


   

5-METHYL-2-(1H-PYRROL-1-YL)ANILINE

5-METHYL-2-(1H-PYRROL-1-YL)ANILINE

C11H12N2 (172.1000432)


   

1-(4-Aminophenyl)cyclobutanecarbonitrile

1-(4-Aminophenyl)cyclobutanecarbonitrile

C11H12N2 (172.1000432)


   

Methyl 4-(hydroxymethyl)cyclohexanecarboxylate

Methyl 4-(hydroxymethyl)cyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

1,2,3,4-Tetrahydrocyclopenta[b]indol-2-amine

1,2,3,4-Tetrahydrocyclopenta[b]indol-2-amine

C11H12N2 (172.1000432)


   

Urea,N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-

Urea,N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-

C6H12N4O2 (172.0960212)


   

2-(QUINOLIN-8-YL)ETHANAMINE

2-(QUINOLIN-8-YL)ETHANAMINE

C11H12N2 (172.1000432)


   

2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole

2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole

C11H12N2 (172.1000432)


   

2-Methyl-5-pyrrol-1-yl-phenylamine

2-Methyl-5-pyrrol-1-yl-phenylamine

C11H12N2 (172.1000432)


   

3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

C11H12N2 (172.1000432)


   

3-methylcyclopropane-1,2-dicarbohydrazide

3-methylcyclopropane-1,2-dicarbohydrazide

C6H12N4O2 (172.0960212)


   
   

2-Cyclobutylbenzimidazole

2-Cyclobutylbenzimidazole

C11H12N2 (172.1000432)


   

2-(QUINOLIN-2-YL)ETHANAMINE

2-(QUINOLIN-2-YL)ETHANAMINE

C11H12N2 (172.1000432)


   

(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile

(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile

C11H12N2 (172.1000432)


   
   

Ethyl 3-hydroxycyclohexanecarboxylate

Ethyl 3-hydroxycyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

3,5-bis-methoxymethyl-1,2,4-triazol-4-ylamine

3,5-bis-methoxymethyl-1,2,4-triazol-4-ylamine

C6H12N4O2 (172.0960212)


   

N-Methyl-N-(quinolin-6-ylmethyl)amine

N-Methyl-N-(quinolin-6-ylmethyl)amine

C11H12N2 (172.1000432)


   

trans-1,2-Bis(trimethylsilyl)ethylene

trans-1,2-Bis(trimethylsilyl)ethylene

C8H20Si2 (172.110348)


   

Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester

Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester

C9H16O3 (172.10993860000002)


   

CIS-ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE

CIS-ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE

C9H16O3 (172.10993860000002)


   

(3R,5R)-3-hydroxy-5-isopropyl-4,4-dimethyldihydrofuran-2(3H)-one

(3R,5R)-3-hydroxy-5-isopropyl-4,4-dimethyldihydrofuran-2(3H)-one

C9H16O3 (172.10993860000002)


   

Ethyl 5-methyl-3-oxohexanoate

Ethyl 5-methyl-3-oxohexanoate

C9H16O3 (172.10993860000002)


   

Ethyl 2-(tetrahydro-2H-pyran-4-yl)acetate

Ethyl 2-(tetrahydro-2H-pyran-4-yl)acetate

C9H16O3 (172.10993860000002)


   

2-(QUINOLIN-3-YL)ETHANAMINE

2-(QUINOLIN-3-YL)ETHANAMINE

C11H12N2 (172.1000432)


   

Diamide

N,N,N,N-tetramethyldiazene-1,2-dicarboxamide

C6H12N4O2 (172.0960212)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013439 - Sulfhydryl Reagents D011838 - Radiation-Sensitizing Agents

   

methyl 2-(4-hydroxycyclohexyl)acetate

methyl 2-(4-hydroxycyclohexyl)acetate

C9H16O3 (172.10993860000002)


   

1-ethyl-5-phenylimidazole

1-ethyl-5-phenylimidazole

C11H12N2 (172.1000432)


   

10-Chloro-3-decyne

10-Chloro-3-decyne

C10H17Cl (172.1018712)


   

Methyl 2-(3-Hydroxycyclohexyl)acetate

Methyl 2-(3-Hydroxycyclohexyl)acetate

C9H16O3 (172.10993860000002)


   

N-METHYL-N-(QUINOLIN-8-YLMETHYL)AMINE

N-METHYL-N-(QUINOLIN-8-YLMETHYL)AMINE

C11H12N2 (172.1000432)


   

CYCLOHEPTYL-THIOUREA

CYCLOHEPTYL-THIOUREA

C8H16N2S (172.1034136)


   

1,4-Butanediol dimethylacrylate

1,4-Butanediol dimethylacrylate

C9H16O3 (172.10993860000002)


   

1H-Benzimidazole,2-methyl-1-(1-methylethenyl)-(9CI)

1H-Benzimidazole,2-methyl-1-(1-methylethenyl)-(9CI)

C11H12N2 (172.1000432)


   

TRANS-9-HYDROXY-7-NONENOIC ACID

TRANS-9-HYDROXY-7-NONENOIC ACID

C9H16O3 (172.10993860000002)


   

6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

C11H12N2 (172.1000432)


   

2-Propenenitrile,3-[4-(dimethylamino)phenyl]-

2-Propenenitrile,3-[4-(dimethylamino)phenyl]-

C11H12N2 (172.1000432)


   

2-ETHYL-2-METHYLACETOACETIC ACID ETHYL ESTER

2-ETHYL-2-METHYLACETOACETIC ACID ETHYL ESTER

C9H16O3 (172.10993860000002)


   

ETHYL 1-HYDROXYCYCLOHEXANE-CARBOXYLATE

ETHYL 1-HYDROXYCYCLOHEXANE-CARBOXYLATE

C9H16O3 (172.10993860000002)


   

tert-Butyl 3-hydroxypent-4-enoate

tert-Butyl 3-hydroxypent-4-enoate

C9H16O3 (172.10993860000002)


   

trans-Ethyl 2-hydroxycyclohexanecarboxylate

trans-Ethyl 2-hydroxycyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

1-(2-Pyridinyl)cyclopentanecarbonitrile

1-(2-Pyridinyl)cyclopentanecarbonitrile

C11H12N2 (172.1000432)


   

BUTYL-(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-AMINE

BUTYL-(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-AMINE

C8H16N2S (172.1034136)


   

2-METHYL-1,4-DIAMINONAPHTHALENE

2-METHYL-1,4-DIAMINONAPHTHALENE

C11H12N2 (172.1000432)


   

(1R,2S)-2-Hydroxy-Cyclohexanecarboxylic Acid Ethyl Ester

(1R,2S)-2-Hydroxy-Cyclohexanecarboxylic Acid Ethyl Ester

C9H16O3 (172.10993860000002)


   

5-Methyl-3-(4-methylphenyl)-1H-pyrazole

5-Methyl-3-(4-methylphenyl)-1H-pyrazole

C11H12N2 (172.1000432)


   

1,3-bis(prop-2-enoxy)propan-2-ol

1,3-bis(prop-2-enoxy)propan-2-ol

C9H16O3 (172.10993860000002)


   

3-pyrrolidin-1-ylbenzonitrile

3-pyrrolidin-1-ylbenzonitrile

C11H12N2 (172.1000432)


   

ethyl (1s,2s)-trans-2-hydroxycyclohexanecarboxylate

ethyl (1s,2s)-trans-2-hydroxycyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

9-hydroxynon-2-enoic acid

(2E)-9-hydroxynon-2-enoic acid

C9H16O3 (172.10993860000002)


A monounsaturated fatty acid that is (2E)-non-2-enoic acid in which one of the hydrogens at position 9 is replaced by a hydroxy group.

   

Ethyl 1-(hydroxymethyl)cyclopentanecarboxylate

Ethyl 1-(hydroxymethyl)cyclopentanecarboxylate

C9H16O3 (172.10993860000002)


   

3-(azetidin-3-yl)-1H-indole

3-(azetidin-3-yl)-1H-indole

C11H12N2 (172.1000432)


   

1-(2-Phenylethyl)-1H-imidazole

1-(2-Phenylethyl)-1H-imidazole

C11H12N2 (172.1000432)


   

1-phenylpyrrolidine-2-carbonitrile

1-phenylpyrrolidine-2-carbonitrile

C11H12N2 (172.1000432)


   

1,6-Dioxaspiro[4.5]dec-2-ylmethanol

1,6-Dioxaspiro[4.5]dec-2-ylmethanol

C9H16O3 (172.10993860000002)


   

N,N-dimethylquinolin-2-amine

N,N-dimethylquinolin-2-amine

C11H12N2 (172.1000432)


   

tert-butyl 2-methyl-3-oxobutanoate

tert-butyl 2-methyl-3-oxobutanoate

C9H16O3 (172.10993860000002)


   
   

Butanoic acid,3-oxo-,pentyl ester

Butanoic acid,3-oxo-,pentyl ester

C9H16O3 (172.10993860000002)


   

ACETOACETIC ACID 3-PENTYL ESTER

ACETOACETIC ACID 3-PENTYL ESTER

C9H16O3 (172.10993860000002)


   

Ethyl 2-hydroxycyclohexanecarboxylate

Ethyl 2-hydroxycyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

1,4-Dioxaspiro[4.5]dec-8-ylmethanol

1,4-Dioxaspiro[4.5]dec-8-ylmethanol

C9H16O3 (172.10993860000002)


   
   

3-(1H-PYRROL-1-YL)BENZYLAMINE

3-(1H-PYRROL-1-YL)BENZYLAMINE

C11H12N2 (172.1000432)


   

(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE

(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE

C11H12N2 (172.1000432)


   

NAPHTHALEN-2-YLMETHYL-HYDRAZINE

NAPHTHALEN-2-YLMETHYL-HYDRAZINE

C11H12N2 (172.1000432)


   

N-Methyl-1-quinolin-5-ylmethanamine

N-Methyl-1-quinolin-5-ylmethanamine

C11H12N2 (172.1000432)


   
   

1H-Benzimidazole,1-ethenyl-2-ethyl-(9CI)

1H-Benzimidazole,1-ethenyl-2-ethyl-(9CI)

C11H12N2 (172.1000432)


   

(2R,6R)-2-TERT-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE

(2R,6R)-2-TERT-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE

C9H16O3 (172.10993860000002)


   
   

Ethyl 4-hydroxycyclohexanecarboxylate

Ethyl 4-hydroxycyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   
   

CYCLOHEXYLMETHYL-THIOUREA

CYCLOHEXYLMETHYL-THIOUREA

C8H16N2S (172.1034136)


   

1,4-dioxaspiro[4.6]undecan-7-ol

1,4-dioxaspiro[4.6]undecan-7-ol

C9H16O3 (172.10993860000002)


   

4-(Pyrrolidin-1-yl)benzonitrile

4-(Pyrrolidin-1-yl)benzonitrile

C11H12N2 (172.1000432)


   

2-METHYL-3-OXO-HEXANOIC ACID ETHYL ESTER

2-METHYL-3-OXO-HEXANOIC ACID ETHYL ESTER

C9H16O3 (172.10993860000002)


   

1,2,3,4-TETRAHYDROPYRAZINO[1,2-A]INDOLE

1,2,3,4-TETRAHYDROPYRAZINO[1,2-A]INDOLE

C11H12N2 (172.1000432)


   

2-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

2-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

C11H12N2 (172.1000432)


   

N-BENZYL-3-CYANOAZETIDINE

1-Benzyl-3-azetidinecarbonitrile

C11H12N2 (172.1000432)


   

methyl cis-3-hydroxymethylcyclohexane-1-carboxylate

methyl cis-3-hydroxymethylcyclohexane-1-carboxylate

C9H16O3 (172.10993860000002)


   

2-pyrrolidin-1-ylbenzonitrile

2-pyrrolidin-1-ylbenzonitrile

C11H12N2 (172.1000432)


   

2-methyl-3-pyrrol-1-ylaniline

2-methyl-3-pyrrol-1-ylaniline

C11H12N2 (172.1000432)


   

1-Allyl-3,3-diethyl-2-thiourea

1-Allyl-3,3-diethyl-2-thiourea

C8H16N2S (172.1034136)


   

3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester

3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester

C9H16O3 (172.10993860000002)


   

5,7-dimethylquinolin-4-amine

5,7-dimethylquinolin-4-amine

C11H12N2 (172.1000432)


   

5,8-dimethylquinolin-4-amine

5,8-dimethylquinolin-4-amine

C11H12N2 (172.1000432)


   

6,7-dimethylquinolin-4-amine

6,7-dimethylquinolin-4-amine

C11H12N2 (172.1000432)


   

6,8-dimethylquinolin-4-amine

6,8-dimethylquinolin-4-amine

C11H12N2 (172.1000432)


   

6-ethylquinolin-4-amine

6-ethylquinolin-4-amine

C11H12N2 (172.1000432)


   

7,8-dimethylquinolin-4-amine

7,8-dimethylquinolin-4-amine

C11H12N2 (172.1000432)


   

8-ethylquinolin-4-amine

8-ethylquinolin-4-amine

C11H12N2 (172.1000432)


   

1-Hydroxy-cycloheptanecarboxylic acid methyl ester

1-Hydroxy-cycloheptanecarboxylic acid methyl ester

C9H16O3 (172.10993860000002)


   

2-quinolin-5-ylethanamine

2-quinolin-5-ylethanamine

C11H12N2 (172.1000432)


   

2-quinolin-7-ylethanamine

2-quinolin-7-ylethanamine

C11H12N2 (172.1000432)


   

Thiourea,N-cyclopropyl-N-(2-methylpropyl)-

Thiourea,N-cyclopropyl-N-(2-methylpropyl)-

C8H16N2S (172.1034136)


   

(1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate

(1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

3,8-dimethylquinolin-2-amine

3,8-dimethylquinolin-2-amine

C11H12N2 (172.1000432)


   

Piperazine, 2,5-dimethyl-1,4-dinitroso-, trans- (9CI)

Piperazine, 2,5-dimethyl-1,4-dinitroso-, trans- (9CI)

C6H12N4O2 (172.0960212)


   

exo-2-Chloro-1,5,5-trimethylnorbornane

exo-2-Chloro-1,5,5-trimethylnorbornane

C10H17Cl (172.1018712)


   

(2S)-2-Isopropyl-5-oxohexanoic acid

(2S)-2-Isopropyl-5-oxohexanoic acid

C9H16O3 (172.10993860000002)


   

2,4-Dihydroxy-2,6,6-trimethylcyclohexanone

2,4-Dihydroxy-2,6,6-trimethylcyclohexanone

C9H16O3 (172.10993860000002)


   

4-Ethoxy-cyclohexanecarboxylic acid

4-Ethoxy-cyclohexanecarboxylic acid

C9H16O3 (172.10993860000002)


   

Pyridine, 5-(methyl-d3)-2-phenyl-

Pyridine, 5-(methyl-d3)-2-phenyl-

C12H8D3N (172.10797613399998)


   

TeMozoloMide Metabolite - MTIC

TeMozoloMide Metabolite - MTIC

C5H12N6O (172.1072542)


   

2-(4-hydroxy-4-methylcyclohexyl)acetic acid

2-(4-hydroxy-4-methylcyclohexyl)acetic acid

C9H16O3 (172.10993860000002)


   

cis-Ethyl 2-hydroxycyclohexanecarboxylate

cis-Ethyl 2-hydroxycyclohexanecarboxylate

C9H16O3 (172.10993860000002)


   

1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline

1-Cyanomethyl-1,2,3,4-tetrahydro-quinoline

C11H12N2 (172.1000432)


   

2,3,6-Trimethylquinoxaline

2,3,6-Trimethylquinoxaline

C11H12N2 (172.1000432)


   

2-(1-Pyrrolyl)benzylamine

2-(1-Pyrrolyl)benzylamine

C11H12N2 (172.1000432)


   

1,4-Dioxaspiro[4.5]decane-2-methanol

1,4-Dioxaspiro[4.5]decane-2-methanol

C9H16O3 (172.10993860000002)


   

2-Isopropyl-1-(2H3)methyl-5-nitro-1H-imidazole

2-Isopropyl-1-(2H3)methyl-5-nitro-1H-imidazole

C7H8D3N3O2 (172.10395413400002)


   

1H-Benzimidazole,1-(2-methyl-2-propenyl)-(9CI)

1H-Benzimidazole,1-(2-methyl-2-propenyl)-(9CI)

C11H12N2 (172.1000432)


   

ethyl 3-hydroxy-4-methyl-2-methylidenepentanoate

ethyl 3-hydroxy-4-methyl-2-methylidenepentanoate

C9H16O3 (172.10993860000002)


   

1-AMINO-6-CYANO-1,2,3,4-TETRAHYDRONAPHTHYLENE

1-AMINO-6-CYANO-1,2,3,4-TETRAHYDRONAPHTHYLENE

C11H12N2 (172.1000432)


   

4-Decyne, 1-chloro-

4-Decyne, 1-chloro-

C10H17Cl (172.1018712)


   

N-(ISOQUINOLIN-5-YLMETHYL)-N-METHYLAMINE

N-(ISOQUINOLIN-5-YLMETHYL)-N-METHYLAMINE

C11H12N2 (172.1000432)


   

3,6-dimethylquinolin-2-amine

3,6-dimethylquinolin-2-amine

C11H12N2 (172.1000432)


   

2,5-Dimethyl-1-(2-pyridinyl)-1H-pyrrole

2,5-Dimethyl-1-(2-pyridinyl)-1H-pyrrole

C11H12N2 (172.1000432)


   

1-(3,5-DIFLUOROPHENYL)-2-HYDROXYMETHYL-3-ISOPROPYLINDOLE

1-(3,5-DIFLUOROPHENYL)-2-HYDROXYMETHYL-3-ISOPROPYLINDOLE

C11H12N2 (172.1000432)


   
   
   

2-(2-Pyrrol-1-yl-ethyl)pyridine

2-(2-Pyrrol-1-yl-ethyl)pyridine

C11H12N2 (172.1000432)


   
   
   
   

Hexacyclonic acid

Hexacyclonic acid

C9H16O3 (172.10993860000002)


C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

1,1-Bis(trimethylsilyl)ethylene

1,1-Bis(trimethylsilyl)ethylene

C8H20Si2 (172.110348)


   
   

1,1,2,2-Tetramethyl-1,2-disilacyclohexane

1,1,2,2-Tetramethyl-1,2-disilacyclohexane

C8H20Si2 (172.110348)


   
   

1,1,3,3-Tetramethyl-1,3-disilinane

1,1,3,3-Tetramethyl-1,3-disilinane

C8H20Si2 (172.110348)


   

1,1,4,4-Tetramethyl-1,4-disilinane

1,1,4,4-Tetramethyl-1,4-disilinane

C8H20Si2 (172.110348)


   

2553-17-5

9-ketopelargonic acid

C9H16O3 (172.10993860000002)


   

Deoxypeganin

Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-

C11H12N2 (172.1000432)


   

N-acetyl-L-leucinate

N-acetyl-L-leucinate

C8H14NO3- (172.0973634)


An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-leucine: major species at pH 7.3.

   

(2S,3R)-capreo-mycidine 5

(2S,3R)-capreo-mycidine 5

C6H12N4O2 (172.0960212)


   

2-Methylpropyl 2-methyl-3-oxobutanoate

2-Methylpropyl 2-methyl-3-oxobutanoate

C9H16O3 (172.10993860000002)


   

(E,2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid

(E,2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid

C6H12N4O2 (172.0960212)


   

(2R)-2-acetamido-4-methylpentanoate

(2R)-2-acetamido-4-methylpentanoate

C8H14NO3- (172.0973634)


   

(Z)-N,N,N,N-tetramethyldiazene-1,2-dicarboxamide

(Z)-N,N,N,N-tetramethyldiazene-1,2-dicarboxamide

C6H12N4O2 (172.0960212)


   

(2Z,4R)-hydroxynon-2-enoic acid

(2Z,4R)-hydroxynon-2-enoic acid

C9H16O3 (172.10993860000002)


A natural product found in Carthamus oxyacantha.

   

(2E,8R)-8-hydroxynon-2-enoic acid

(2E,8R)-8-hydroxynon-2-enoic acid

C9H16O3 (172.10993860000002)


An (omega-1)-hydroxy fatty acid that is (2E)-non-2-enoic acid in which the hydrogen at the 8 pro-R position is replaced by a hydroxy group.

   
   

(Hexanoylamino)acetate

(Hexanoylamino)acetate

C8H14NO3- (172.0973634)


   

(2S,3S)-2-acetamido-3-methylpentanoate

(2S,3S)-2-acetamido-3-methylpentanoate

C8H14NO3- (172.0973634)


   

Disilane, 1,1,2,2-tetraethyl-

Disilane, 1,1,2,2-tetraethyl-

C8H20Si2 (172.110348)


   

1,1,2,3,3-Pentamethyl-1,3-disilacyclopentane

1,1,2,3,3-Pentamethyl-1,3-disilacyclopentane

C8H20Si2 (172.110348)


   

Ethyl (4S)-4-methyl-3-oxohexanoate

Ethyl (4S)-4-methyl-3-oxohexanoate

C9H16O3 (172.10993860000002)


   
   

(3R,6S)-3-Hydroxy-6-methyl-7-octenoic acid

(3R,6S)-3-Hydroxy-6-methyl-7-octenoic acid

C9H16O3 (172.10993860000002)


   
   

1,2-Dimethyl-1,2-dipropyldisilane

1,2-Dimethyl-1,2-dipropyldisilane

C8H20Si2 (172.110348)


   

Endo 1-ethyl-5-methyl-6,8-dioxabicyclo(3,2,1)octan-3-OL

Endo 1-ethyl-5-methyl-6,8-dioxabicyclo(3,2,1)octan-3-OL

C9H16O3 (172.10993860000002)


   

3-[(4R)-2-iminoimidazolidin-4-yl]-L-alanine

3-[(4R)-2-iminoimidazolidin-4-yl]-L-alanine

C6H12N4O2 (172.0960212)


   
   

Tetrahydrofurfuryl Butyrate

Tetrahydro-2-furylmethyl butanoate

C9H16O3 (172.10993860000002)


   
   
   
   
   

N-hexanoylglycinate

N-hexanoylglycinate

C8H14NO3 (172.0973634)


A monocarboxylic acid anion that is the conjugate base of N-hexanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

N-acetyl-L-isoleucinate

N-acetyl-L-isoleucinate

C8H14NO3 (172.0973634)


A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-isoleucine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

L-enduracididine

L-enduracididine

C6H12N4O2 (172.0960212)


An L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is substituted by a 2-iminoimidazolidin-4-yl group.

   

(2S,3R)-Capreomycidine

(2S,3R)-Capreomycidine

C6H12N4O2 (172.0960212)


An L-alpha-amino acid obtained by enzyme-mediated intramolecular cyclisation of L-arginine.

   
   
   
   

7-hydroxy-4-methyloct-5-enoic acid

7-hydroxy-4-methyloct-5-enoic acid

C9H16O3 (172.10993860000002)


   

1-amino-2-(carbamimidamidomethyl)cyclopropane-1-carboxylic acid

1-amino-2-(carbamimidamidomethyl)cyclopropane-1-carboxylic acid

C6H12N4O2 (172.0960212)


   

2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methylcyclopent-3-en-1-ol

2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methylcyclopent-3-en-1-ol

C9H16O3 (172.10993860000002)


   

2-(but-2-en-1-ylidene)pentane-1,3,4-triol

2-(but-2-en-1-ylidene)pentane-1,3,4-triol

C9H16O3 (172.10993860000002)


   

7-methyl-octahydrocyclopenta[c]pyran-1,6-diol

7-methyl-octahydrocyclopenta[c]pyran-1,6-diol

C9H16O3 (172.10993860000002)


   

(3r,4s,5r,6r)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one

(3r,4s,5r,6r)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one

C9H16O3 (172.10993860000002)


   

4-(hydroxymethyl)octa-3,5-diene-2,7-diol

4-(hydroxymethyl)octa-3,5-diene-2,7-diol

C9H16O3 (172.10993860000002)


   

(1r,4as,6s,7r,7as)-7-methyl-octahydrocyclopenta[c]pyran-1,6-diol

(1r,4as,6s,7r,7as)-7-methyl-octahydrocyclopenta[c]pyran-1,6-diol

C9H16O3 (172.10993860000002)


   

2-methylpropyl (3s)-3-hydroxy-2-methylidenebutanoate

2-methylpropyl (3s)-3-hydroxy-2-methylidenebutanoate

C9H16O3 (172.10993860000002)


   

(2z,4r)-4-hydroxynon-2-enoic acid

(2z,4r)-4-hydroxynon-2-enoic acid

C9H16O3 (172.10993860000002)


   

(2r)-2-isopropyl-5-oxohexanoic acid

(2r)-2-isopropyl-5-oxohexanoic acid

C9H16O3 (172.10993860000002)