Exact Mass: 172.1072542
Exact Mass Matches: 172.1072542
Found 272 metabolites which its exact mass value is equals to given mass value 172.1072542,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
9-Oxo-nonanoic acid
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.
9-Oxononanoic acid
A medium-chain oxo-fatty acid that is the 9-oxo derivative of nonanoic acid.
1,2,3,4-Tetrahydro-beta-carboline
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
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-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-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
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
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
3-Methylbutyl 3-oxobutanoate is a flavouring ingredient. Flavouring ingredient
Butyl levulinate
Butyl levulinate is a flavouring agent. Flavouring agent
5-Pentyl-1,4-dioxan-2-one
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 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.
rel-(1R,4aS,6S,7R,7aS)-Octahydro-7-methylcyclopenta[c]pyran-1,6-diol|scholarein C
4-hydroxynon-2-enoic acid
A medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group.
Tetrahydro-4-hydroxy-6-methyl-2-(2-oxopropyl)-2H-pyran
Deoxypeganin
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-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
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].
Tryptoline
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].
N-METHYL-1-(QUINOLIN-3-YL)METHANAMINE HYDROCHLORIDE
(3R,5R)-3-hydroxy-5-isopropyl-4,4-dimethyldihydrofuran-2(3H)-one
1H-Benzimidazole,2-methyl-1-(1-methylethenyl)-(9CI)
(1R,2S)-2-Hydroxy-Cyclohexanecarboxylic Acid Ethyl Ester
ethyl (1s,2s)-trans-2-hydroxycyclohexanecarboxylate
9-hydroxynon-2-enoic acid
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.
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
2-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
methyl cis-3-hydroxymethylcyclohexane-1-carboxylate
3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester
1-Hydroxy-cycloheptanecarboxylic acid methyl ester
(1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate
2-Isopropyl-1-(2H3)methyl-5-nitro-1H-imidazole
C7H8D3N3O2 (172.10395413400002)
1-(3,5-DIFLUOROPHENYL)-2-HYDROXYMETHYL-3-ISOPROPYLINDOLE
Hexacyclonic acid
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
N-acetyl-L-leucinate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-leucine: major species at pH 7.3.
(2Z,4R)-hydroxynon-2-enoic acid
A natural product found in Carthamus oxyacantha.
(2E,8R)-8-hydroxynon-2-enoic acid
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.
Endo 1-ethyl-5-methyl-6,8-dioxabicyclo(3,2,1)octan-3-OL
N-hexanoylglycinate
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
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.
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methylcyclopent-3-en-1-ol
(3r,4s,5r,6r)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
(1r,4as,6s,7r,7as)-7-methyl-octahydrocyclopenta[c]pyran-1,6-diol
2-methylpropyl (3s)-3-hydroxy-2-methylidenebutanoate
10-deoxyeucommiol
{"Ingredient_id": "HBIN000105","Ingredient_name": "10-deoxyeucommiol","Alias": "10-de-oxyeucommiol","Ingredient_formula": "C9H16O3","Ingredient_Smile": "CC1=C(C(C(C1)O)CCO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5173;38615","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-Deoxyeucommiol
{"Ingredient_id": "HBIN002481","Ingredient_name": "1-Deoxyeucommiol","Alias": "1-deoxyeucommiol; 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol; 2-[(1R)-2,3-bis(hydroxymethyl)-1-cyclopent-2-enyl]ethanol; 2-[(1R)-2,3-dimethylol-1-cyclopent-2-enyl]ethanol; AC1NSUE9","Ingredient_formula": "C9H16O3","Ingredient_Smile": "C1CC(=C(C1CCO)CO)CO","Ingredient_weight": "172.22 g/mol","OB_score": "11.24061311","CAS_id": "NA","SymMap_id": "SMIT13076;SMIT14996","TCMID_id": "5172","TCMSP_id": "MOL012305","TCM_ID_id": "NA","PubChem_id": "5316559","DrugBank_id": "NA"}
