Exact Mass: 158.1531388
Exact Mass Matches: 158.1531388
Found 386 metabolites which its exact mass value is equals to given mass value 158.1531388,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pelargonic acid
Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane. Nonanoic acid is a natural product found in Staphisagria macrosperma, Rhododendron mucronulatum, and other organisms with data available. Nonanoic Acid is a naturally-occurring saturated fatty acid with nine carbon atoms. The ammonium salt form of nonanoic acid is used as an herbicide. It works by stripping the waxy cuticle of the plant, causing cell disruption, cell leakage, and death by desiccation. Nonanoic acid is a metabolite found in or produced by Saccharomyces cerevisiae. Pelargonic acid, or nonanoic acid, is a fatty acid which occurs naturally as esters is the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings. Pelargonic acid is an organic compound composed of a nine-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but well soluble in chloroform and ether. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays. A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. Nonanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=112-05-0 (retrieved 2024-07-01) (CAS RN: 112-05-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].
N-Nitrosodibutylamine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3460 D009676 - Noxae > D002273 - Carcinogens
Decyl alcohol
1-Decanol, or decyl alcohol, is a straight chain fatty alcohol with ten carbon atoms and the molecular formula CH3(CH2)9OH. It is a colorless viscous liquid that is insoluble in water. 1-Decanol has a strong odour. Decanol is used in the manufacture of plasticizers, lubricants, surfactants and solvents. Decanol causes a high irritability to skin and eyes, when splashed into the eyes it can cause permanent damage. Also inhalation and ingestion can be harmful, it can also function as a narcotic. It is also harmful to the environment. Isolated from plant sources, e.g. citrus oils, apple, coriander, babaco fruit (Carica pentagonia), wines, scallop and other foods
Butadiene-styrene rubber
D001697 - Biomedical and Dental Materials It is used as a food additive .
Methyl caprylate
Methyl octanoate appears as a colorless liquid. Insoluble in water and about the same density as water. Used to make other chemicals. Methyl octanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. It has a role as a metabolite. It is a fatty acid methyl ester and an octanoate ester. Methyl octanoate is a natural product found in Astragalus mongholicus, Achillea millefolium, and other organisms with data available. Methyl octanoate is a metabolite found in or produced by Saccharomyces cerevisiae. Methyl caprylate is found in chinese cinnamon. Methyl caprylate is a flavouring agent. Methyl caprylate is present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc Methyl caprylate is a flavouring agent. Present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc. It is also found in tea, chinese cinnamon and pepper (spice). A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1]. Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].
Pentyl butanoate
Pentyl butanoate is found in apple. Pentyl butanoate is found in banana, apple and apricot fruits. Pentyl butanoate is used in food flavouring Pentyl butyrate, also known as pentyl butanoate or amyl butyrate, is an ester that is formed when pentanol is reacted with butyric acid, usually in the presence of sulfuric acid as a catalyst. This ester has a smell reminiscent of pear or apricot. This chemical is used as an additive in cigarettes. Found in banana, apple and apricot fruits. It is used in food flavouring
Heptyl acetate
Heptyl acetate, also known as heptanyl acetate and acetate C-7, is a colorless alcohol-soluble liquid that is the ester formed by the condensation of 1-heptanol and acetic acid. It can be found in alcoholic beverages. Heptyl acetate is present in apple, apricot, banana, orange peel, lemon peel, melon, Bartlett pears, other fruits, heated beef fat, ginger, wines and spirits. Present in apple, apricot, banana, orange peel, lemon peel, melon, Bartlett pears, other fruits, heated beef fat, ginger, wines and spirits. Flavouring ingredient
Oenanthic ether
Found in fruits, e.g. apple, apricot, grapefruit, strawberry etcand is also present in pea, Parmesan cheese, butter, fish oil, hop oil, wine, Bantu beer, apple brandy. Flavouring agent; used in fruit aroma compositions Oenanthic ether is an odorous substance (ester) (PMID 15474656) present in human sweat (PMID 8887339).
(R)-Dihydrocitronellol
Dihydrocitronellol, also known as 3,7-dimethyloctan-1-ol or tetrahydrogeraniol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, dihydrocitronellol is considered to be a fatty alcohol lipid molecule. Dihydrocitronellol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dihydrocitronellol is an aldehydic, bitter, and citrus tasting compound found in lemon, which makes dihydrocitronellol a potential biomarker for the consumption of this food product. (R)-Dihydrocitronellol is a flavouring ingredien
Ethyl 5-methylhexanoate
Ethyl 5-methylhexanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
Butyl 2-methylbutanoate
Butyl 2-methylbutanoate is a flavouring agent. Flavouring agent
2-Methylpropyl 3-methylbutanoate
2-Methylpropyl 3-methylbutanoate is found in fig. 2-Methylpropyl 3-methylbutanoate is present in many plants. 2-Methylpropyl 3-methylbutanoate is a flavouring ingredient. Present in many plants. Flavouring ingredient. 2-Methylpropyl 3-methylbutanoate is found in roman camomile, fig, and pepper (spice).
Isoamyl butyrate
Isoamyl butyrate, also known as isopentyl butanoate, is the butanoate ester of isoamylol. It derives from an isoamylol. Isoamyl butyrate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Isoamyl butyrate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Isoamyl butyrate is a potentially toxic compound. It has a role as a metabolite. Present in fruit aromas, e.g. apricot, melon, mango etcand is) also present in wines, eucalyptus oil and coconut oil. It is used in fruit flavours. Isoamyl butyrate is found in many foods, some of which are fats and oils, fruits, apple, and roman camomile.
Octyl formate
Octyl formate is a fragrance and flavouring ingredient. It is found in Scotch spearmint oil and grilled or roast beef. It is also found in herbs and spices. Octyl formate is found in animal foods. Fragrance and flavouring ingredient. Octyl formate is present in Scotch spearmint oil and grilled or roast beef.
4-Methyloctanoic acid
(±)-4-Methyloctanoic acid is a flavouring ingredien Flavouring ingredient 4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1].
xi-2-Ethylheptanoic acid
xi-2-Ethylheptanoic acid is found in fruits. xi-2-Ethylheptanoic acid is a constituent of starfruit (Averrhoa carambola) Constituent of starfruit (Averrhoa carambola). xi-2-Ethylheptanoic acid is found in fruits.
3-Decanol
(±)-3-decanol, also known as ethyl heptyl carbinol or fema 3605, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (±)-3-decanol is considered to be a fatty alcohol lipid molecule (±)-3-decanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-3-decanol is a fatty, floral, and mushroom tasting compound found in spearmint, which makes (±)-3-decanol a potential biomarker for the consumption of this food product. 3-Decanol (CAS: 1565-81-7), also known as 3-hydroxydecane or 1-ethyl-1-octanol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 3-Decanol is a flavouring ingredient.
Butyl 3-methylbutanoate
Butyl 3-methylbutanoate is found in alcoholic beverages. Butyl 3-methylbutanoate is used in fruit flavouring. Butyl 3-methylbutanoate is present in apricot, banana, strawberries, Parmesan and gruyere de comte cheeses, white wine, olives, plums, jack fruit, cherimoga and lambs lettuc Butyl 3-methylbutanoate is used in fruit flavouring. It is found in alcoholic beverages, milk and milk products, and fruits.
3-Heptyl acetate
3-Heptyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
5-Methylhexyl acetate
5-Methylhexyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-Octyl formate
3-Octyl formate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Propyl hexanoate
Flavouring ingredient. Constituent of apple, apricot, grapes, passion fruit, starfruit, mountain papaya, other fruits, cheeses and various alcoholic beverages. Propyl hexanoate is found in many foods, some of which are milk and milk products, alcoholic beverages, fruits, and pomes. Propyl hexanoate is found in alcoholic beverages. Propyl hexanoate is a flavouring ingredient. Propyl hexanoate is a constituent of apple, apricot, grapes, passion fruit, starfruit, mountain papaya, other fruits, cheeses and various alcoholic beverages.
Hexyl propionate
Hexyl propionate is a flavouring ingredien Flavouring ingredient
3,7-Dimethyl-3-octanol
3,7-Dimethyl-3-octanol, also known as fema 3060 or tetrahydrolinalool, belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H). (±)-3,7-Dimethyl-3-octanol is a flavouring ingredient belonging to the family of Monoterpenes. These are compounds contaning a chain of two isoprene units. 3,7-Dimethyl-3-octanol is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). Flavouring ingredient
3-Methylbutyl 2-methylpropanoate
3-Methylbutyl 2-methylpropanoate is a flavouring ingredien Flavouring ingredient
1-Hydroxy-3-nonanone
1-Hydroxy-3-nonanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
3-(Hydroxymethyl)-2-octanone
3-(Hydroxymethyl)-2-octanone is a flavouring ingredient. Flavouring ingredient
4-Methyl-2-pentyl-1,3-dioxolane
4-Methyl-2-pentyl-1,3-dioxolane is a flavouring ingredient. Flavouring ingredient
1-Methylbutyl butanoate
1-Methylbutyl butanoate is found in fruits. 1-Methylbutyl butanoate is a food flavourant. 1-Methylbutyl butanoate is present in bananas, passion fruit and strawberry. 1-Methylbutyl butanoate is a flavouring agent. It is found in bananas, passion fruit and strawberry.
Butyl pentanoate
Butyl pentanoate is found in alcoholic beverages. Butyl pentanoate is present in apple, banana, blackberry, plum, jackfruit (Artocarpus heterophyllus), malt whisky and Bourbon vanilla. Butyl pentanoate is a flavouring agent. Present in apple, banana, blackberry, plum, jackfruit (Artocarpus heterophyllus), malt whisky and Bourbon vanilla. Flavouring agent. Butyl pentanoate is found in alcoholic beverages, pomes, and fruits.
Isopropyl hexanoate
Isopropyl hexanoate is found in fruits. Isopropyl hexanoate is present in wine grapes, strawberry, starfruit (Averrhoa carambala), blue cheeses, gruyere de comte cheese and Parmesan cheese. Isopropyl hexanoate is a flavouring ingredient. Present in wine grapes, strawberry, starfruit (Averrhoa carambala), blue cheeses, gruyere de comte cheese and Parmesan cheese. Flavouring ingredient. Isopropyl hexanoate is found in milk and milk products and fruits.
(2-Ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl)oxidanyl
2-Methylbutylbutyrate
2-methylbutylbutyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, 2-methylbutylbutyrate is considered to be a fatty ester lipid molecule. 2-methylbutylbutyrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-methylbutylbutyrate can be found in roman camomile, which makes 2-methylbutylbutyrate a potential biomarker for the consumption of this food product.
Isobutyl-2-methylbutyrate
Isobutyl-2-methylbutyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, isobutyl-2-methylbutyrate is considered to be a fatty ester lipid molecule. Isobutyl-2-methylbutyrate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isobutyl-2-methylbutyrate can be found in roman camomile and spearmint, which makes isobutyl-2-methylbutyrate a potential biomarker for the consumption of these food products.
2-Heptyl acetate
2-heptyl acetate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 2-heptyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-heptyl acetate can be found in cloves, which makes 2-heptyl acetate a potential biomarker for the consumption of this food product. Heptyl acetate is used as a fruit essence flavoring in foods and as a scent in perfumes. It has a woody, fruity, rumlike odor and a spicy, floral taste with a soapy, fatty texture .
Decan-2-ol
Decan-2-ol, also known as 2-decanol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Decan-2-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Decan-2-ol can be found in corn, which makes decan-2-ol a potential biomarker for the consumption of this food product.
FA 9:0
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].
Nonanoic acid
Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].
Uniphat A20
Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1]. Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].
Isoamyl isobutyrate
A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
N,N,N,N-TETRAMETHYL-2,2-DIMETHYL-1,3-PROPANEDIAMINE
1H-1,4-Diazepine-1-carboxylicacid,hexahydro-,methylester(9CI)
Urea, N,N-dimethyl-N-[(methylamino)(methylimino)methyl]- (9CI)
2-Pyrrolidinecarboxamide,N-(hydroxymethyl)-1-methyl-,(2S)-(9CI)
4-(Aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine
4-Piperidinecarboxylicacid,4-amino-,methylester(9CI)
2-[methyl(piperidin-4-yl)amino]ethanol(SALTDATA: 2HCl)
(R)-3-Hydroxy-N,N-dimethylpyrrolidine-1-carboxamide
2-PIPERAZINECARBOXYLICACID,1-METHYL-,METHYLESTER(9CI)
(S)-3-Hydroxy-N,N-dimethylpyrrolidine-1-carboxamide
2H-1-Benzopyran,3-fluorooctahydro-,(4aR,8aS)-rel-(9CI)
Cyclohexanecarboxylic acid, 3,5-diamino-, (1alpha,3alpha,5alpha)- (9CI)
N-(2-HYDROXYETHYL)PIPERAZINE-N-(2-ETHANESULFONICACID)HEMISODIUMSALT
2,6-Dimethylheptanoic acid
A methyl-branched chain fatty acid that is heptanoic acid substituted by a methyl group at positions 2 and 6.
Acid C-9
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1]. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].
Isobutyl-2-methylbutyrate
Isobutyl-2-methylbutyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Thus, isobutyl-2-methylbutyrate is considered to be a fatty ester lipid molecule. Isobutyl-2-methylbutyrate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isobutyl-2-methylbutyrate can be found in roman camomile and spearmint, which makes isobutyl-2-methylbutyrate a potential biomarker for the consumption of these food products.
4-Hydroxynonanal
An hydroxy fatty aldehyde that is nonanal in which one of the hydrogens at position 4 has been replaced by a hydroxy group.
(2S)-1,1-Dimethylpiperidin-1-ium-2-carboxylic acid
(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
A member of the class of benzenes that is benzene substituted by a 1,2,3-trimethyl-2-cyclopropen-1-yl group.
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
A natural product found in Triatoma brasiliensis and Triatoma infestans.
trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane
A natural product found in Triatoma brasiliensis and Triatoma infestans.
rel-(2R/S,4R,5R)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
A natural product found in Triatoma brasiliensis and Triatoma infestans.
2-Aminooctanoate
An alpha-amino-acid anion that is the conjugate base of 2-aminooctanoic acid, arising from deprotonation of the carboxy group.
Decan-2-ol
A secondary alcohol that is decane substituted by a hydroxy group at position 2.
3,7-Dimethyl-3-octanol
A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.
propyl hexanoate
A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol.
4-Methylcaprylic acid
4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1].
decan-5-ol
A secondary alcohol that is decane substituted by a hydroxy group at position 5.
Decan-3-ol
A secondary alcohol that is decane substituted by a hydroxy group at position 3.
Decan-4-ol
A secondary alcohol that is decane substituted by a hydroxy group at position 4.
Decan-1-ol
A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms.
7-methyloctanoic acid
A branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group.
11-Diene
{"Ingredient_id": "HBIN000397","Ingredient_name": "11-Diene","Alias": "NA","Ingredient_formula": "C12H14","Ingredient_Smile": "C1CC23C1(CC2)C4C=CC3C=C4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40302","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-Octanol,2,7-dimethyl-
{"Ingredient_id": "HBIN002880","Ingredient_name": "1-Octanol,2,7-dimethyl-","Alias": "NA","Ingredient_formula": "C10H22O","Ingredient_Smile": "CC(C)CCCCC(C)CO","Ingredient_weight": "158.28 g/mol","OB_score": "24.42699255","CAS_id": "NA","SymMap_id": "SMIT04456","TCMID_id": "NA","TCMSP_id": "MOL002159","TCM_ID_id": "NA","PubChem_id": "27154","DrugBank_id": "NA"}
2,4-dimethyl-4-octanol
{"Ingredient_id": "HBIN004351","Ingredient_name": "2,4-dimethyl-4-octanol","Alias": "NA","Ingredient_formula": "C10H22O","Ingredient_Smile": "CCCCC(C)(CC(C)C)O","Ingredient_weight": "158.28 g/mol","OB_score": "23.26162231","CAS_id": "NA","SymMap_id": "SMIT10938","TCMID_id": "NA","TCMSP_id": "MOL009856","TCM_ID_id": "NA","PubChem_id": "568123","DrugBank_id": "NA"}