Exact Mass: 172.1099
Exact Mass Matches: 172.1099
Found 169 metabolites which its exact mass value is equals to given mass value 172.1099,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 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.
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
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].
(3R,5R)-3-hydroxy-5-isopropyl-4,4-dimethyldihydrofuran-2(3H)-one
(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.
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
Hexacyclonic acid
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
(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
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"}
