Exact Mass: 158.097
Exact Mass Matches: 158.097
Found 500 metabolites which its exact mass value is equals to given mass value 158.097,
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].
1,5-Naphthalenediamine
CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1321; ORIGINAL_PRECURSOR_SCAN_NO 1317 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1306; ORIGINAL_PRECURSOR_SCAN_NO 1305 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1313; ORIGINAL_PRECURSOR_SCAN_NO 1311 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1314; ORIGINAL_PRECURSOR_SCAN_NO 1311 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1302; ORIGINAL_PRECURSOR_SCAN_NO 1298
(2-Naphthyl)methanol
This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate is a flavouring agent Flavouring agent
3-Oxovalproic acid
3-Oxovalproic 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)
2-n-Propyl-4-oxopentanoic acid
2-n-Propyl-4-oxopentanoic 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)
1-Hydroxymethylnaphthalene
This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-Naphthalenemethanol is a natural compound the root bark extracts of Annona senegalensis with antibacterial activity[1]. 1-Naphthalenemethanol is a natural compound the root bark extracts of Annona senegalensis with antibacterial activity[1].
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].
Tetrahydrofurfuryl propionate
Tetrahydrofurfuryl propionate is a flavouring ingredien Flavouring ingredient
S-Isopropyl 3-methylbut-2-enethioate
S-Isopropyl 3-methylbut-2-enethioate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
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).
Alpha-Ketooctanoic acid
alpha-Ketooctanoic acid is a branched-chain alpha-keto acid. Branched-chain alpha-keto acids are the intermediate metabolites of branched-chain amino acids. Changes in the blood levels of these alpha-keto acids may indicate disturbances in the metabolism of the original substrates. Therefore the analysis of these alpha-keto acids in the blood may offer important information on the biochemical effects of alcohol in the body. [HMDB] alpha-Ketooctanoic acid is a branched-chain alpha-keto acid. Branched-chain alpha-keto acids are the intermediate metabolites of branched-chain amino acids. Changes in the blood levels of these alpha-keto acids may indicate disturbances in the metabolism of the original substrates. Therefore the analysis of these alpha-keto acids in the blood may offer important information on the biochemical effects of alcohol in the body.
Ethyl 5-methylhexanoate
Ethyl 5-methylhexanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
Isobutyric Acid Anhydride
Isobutyric Acid Anhydride, also known as Isobutyrate anhydride, is classified as a dicarboxylic acid or a Dicarboxylic acid derivative. Dicarboxylic acids are organic compounds containing exactly two carboxylic acid groups. Isobutyric Acid Anhydride is considered to be slightly soluble (in water) and basic
2-Methoxynaphthalene
Arabinogalactan is found in soy bean. Emulsifier, stabiliser Approximately one of the three arabinosyl chains attached to the galactan chain contains succinyl groups. Although one succinyl group is most common, up to three succinyl groups per released arabinan fragment can be found on oligo-arabinans. However, arabinan fragments substituted with GalNH2 are not succinylated. Importantly, in the case of M. tuberculosis, and most likely in all slow growers, both positive charge (protonated GalNH2 as GalNH3+) and negative charge (succinyl) are present in the middle regions of the arabinan, specifically at O-2 of the inner 3,5- -D-Araf units. The succinyl residues are on the non-mycolylated chain. Recently a complete primary model of arabinogalactan has been proposed. Arabinogalactan is a biopolymer consisting of arabinose and galactose monosaccharides. Two classes of arabinogalctans are found in nature: plant arabinogalactan and microbial arabinogalactan. In plants, it is a major constituents of many gums, including gum arabic, gum gutti and so on. It occasionally attached to proteins and the resulted proteoglycan functions as signaling molecules betweens cells as well as glue to seal wounded part of plants. The microbial arabinogalactan is a major structural component of the mycobacterial cell wall. Both the arabinose and galactose are solely in the furanose configuration. The galactan portion of the microbial arabinogalactan is linear, consisting of approximately 30 units with alternating -(1-5) and -(1-6) glycosidic linkages. The arabinan chain, which consist of about 30 residues, are attached at three branch points within the galactan chain (believed to be at residues 8, 10 and 12).The arabinan portion of the polymer is a complex branched structure, usually capped with mycolic acids. The arabinan glycosidic linkages are -(1-3), -(1-5), and -(1-2). The non-reducing end of arabinogalactan is covalently attached to the mycolic acids of the outer membrane. The hydrophobicity of mycolic acids is a barrier to drug entry. Additionally, the mycolyl arabinogalactan peptidiglycan is responsible for aspects of disease pathogenesis and much of the antibody response in infections. The mycolyl substituents are selectively and equally distributed on the 5-hydroxyl functions of terminal- and the penultimate 2-linked Araf residues. The mycolyl residues are clustered in groups of four on the non reducing terminal pentaarabinosyl unit ( -Araf-(1 2)- -Araf)2-3,5- -Araf. Thus, the major part (66\\%) of the pentaarabinosyl units are substituted by mycolic acids, leaving the unsubstituted minor region (33\\%), that is available for interaction with the immune system.
cis-4-Hydroxycyclohexylacetic acid
cis-4-Hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (or HPPD) (EC 1.13.11.27), an inborn error of metabolism (PMIDs 701419, 719903) also called hawkinsinuria. 4-Hydroxyphenylpyruvate dioxygenase participates in the tyrosine catabolic pathway by catalyzing the conversion of 4-hydroxyphenylpyruvate to homogentisate (Hager et al., 1957). The mechanism of action of 4-hydroxyphenylpyruvate dioxygenase involves a decarboxylation step and an oxidation step, followed by a rearrangement step to form homogentisic acid (Tomoeda et al., 2000). Awata et al. (1994) determined that the HPD gene contains 14 exons. Analysis of the 5-prime flanking sequence of the gene suggested that expression of the gene is regulated by hepatocyte-specific and liver-enriched transcription factors, as well as by hormones (OMIM: 609695). cis-4-Hydroxycyclohexylacetic acid has also been found to be a microbial metabolite (PMID: 20615997). Cis-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMIDs 701419, 719903)
trans-4-Hydroxycyclohexylacetic acid
trans-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMID: 701419, 719903) [HMDB] trans-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMID: 701419, 719903).
3-Oxooctanoic acid
3-Oxo-Octanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enzymes; beta-ketoacyl-acyl-carrier- protein synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier- protein synthase II. [HMDB] 3-Oxo-Octanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enzymes; beta-ketoacyl-acyl-carrier- protein synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier- protein synthase II.
6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane
6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane is found in herbs and spices. 6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane is a constituent of the flowers of Jasminum sambac (Arabian jasmine)
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione is a fda approved for use as an adjuvant in the bleaching of food-contact recycled paper and board used in food packagin
1-Methyl-2-oxopropyl butyrate
1-Methyl-2-oxopropyl butyrate is a flavouring ingredien Flavouring ingredient
2-Methylpropyl 3-oxobutanoate
2-Methylpropyl 3-oxobutanoate is a flavouring ingredient. Flavouring ingredient
3-Methylbutyl 2-oxopropanoate
3-Methylbutyl 2-oxopropanoate is a flavouring ingredient. Flavouring ingredient
Butyl acetoacetate
Butyl acetoacetate is a flavouring agent. Flavouring agent
Propyl levulinate
Propyl levulinate is a caramellic flavouring agent. [CCD]. Caramellic flavouring agent [CCD]
5-Butyl-1,4-dioxan-2-one
5-Butyl-1,4-dioxan-2-one belongs to the family of 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-Butyl-1,4-dioxan-2-one
6-Butyl-1,4-dioxan-2-one belongs to the family of 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.
(2-Ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl)oxidanyl
1-Benzylimidazole
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
N-Nitrosobis(2-oxopropyl)amine
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Oxiracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent Oxiracetam is a cyclic derivative of γ-aminobutyric acid (GABA) which has been commonly used as nootropic agent to treat cognitive impairments.
1-Methoxynapthalene
1-Methoxynaphthalene is used as the substrate to investigate the activity of cytochrome c peroxidase (CcP). 1-Methoxynaphthalene also can be used to synthesize prenyl naphthalen-ols[1][2].
1-Benzylimidazole
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
1-methoxy-dec-2t-ene-4,6,8-triyne|1-Methoxydec-trans-2-en-4.6.8-triyn|trans-1-Methoxy-2-decen-4.6.8-triin
(3R)-3-((1R)-1-hydroxyethyl)-4,4-dimethyl-4-butyrolactone
(E)-ethyl 5-hydroxyhex-2-enoate|(E)-ethyl-5-hydroxy-2-hexenoate|5-hydroxy-hex-2-enoic acid ethyl ester|5-Hydroxy-hex-2-ensaeure-aethylester|ethyl 5-hydroxyhex-2-enoate
1-Hydroxymethylnaphthalene
(1-naphthyl)methanol is a naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group. It has a role as a mouse metabolite. 1-Hydroxymethylnaphthalene is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). 1-Naphthalenemethanol is a natural product found in Zingiber officinale with data available. This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-Naphthalenemethanol is a natural compound the root bark extracts of Annona senegalensis with antibacterial activity[1]. 1-Naphthalenemethanol is a natural compound the root bark extracts of Annona senegalensis with antibacterial activity[1].
Thiophene, 2,3-dihydro-5-methyl-4-(1-methylethyl)-, 1-oxide (9CI)
Silane, (3-fluorobicyclo[1.1.1]pent-1-yl)trimethyl- (9CI)
3-(Hydroxymethyl)-6-methylpiperazine-2,5-dione
1-Cyclopentene-1-carboxylicacid,2-fluoro-,ethylester(9CI)
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)
(4,5-DICHLORO-1H-IMIDAZOL-1-YL)(2-THIENYL)METHANONE
4-Piperidinecarboxylicacid,4-amino-,methylester(9CI)
2-methyl-4-carboxy-5-hydroxy-3,4,5,6-tetrahydropyrimidine
(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)
1H-1,3-Diazepine-4-carboxylicacid,hexahydro-2-oxo-,(R)-(9CI)
(1s,2s)-trans-2-hydroxy-cyclopentanecarboxylic acid ethyl ester
3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
Cyclohexanecarboxylic acid, 3,5-diamino-, (1alpha,3alpha,5alpha)- (9CI)
1H-Imidazole-4-carboxylicacid,2-hydrazino-4,5-dihydro-,methylester(9CI)
(4R,5R)-[5-(4-IODOPHENYL)-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL]METHANOL
Oxiracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent Oxiracetam is a cyclic derivative of γ-aminobutyric acid (GABA) which has been commonly used as nootropic agent to treat cognitive impairments.
1-Naphthalenemethanol
1-Naphthalenemethanol is a natural compound the root bark extracts of Annona senegalensis with antibacterial activity[1]. 1-Naphthalenemethanol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4780-79-4 (retrieved 2024-08-21) (CAS RN: 4780-79-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
5-Acetamidopentanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 6-acetamido-2-oxopentanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate
(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.
2-Aminooctanoate
An alpha-amino-acid anion that is the conjugate base of 2-aminooctanoic acid, arising from deprotonation of the carboxy group.
(2E,7R)-7-hydroxyoct-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-oct-2-enoic acid in which the hydrogen at the 7-pro-R position is replaced by a hydroxy group.
(2S,3E)-3-(acetylhydrazinylidene)-2-methylpropanoic acid
4-Methylene-L-glutamine
A non-proteinogenic L-alpha-amino acid that is L-glutamine in which the hydrogens attached to the carbon gamma to the carboxy group are replaced by a methylene group.
3-Oxooctanoic acid
A derivative of octanoic acid carrying a beta-oxo group; a possible metabolite of 2-octynoic acid.
4-methylene-L-glutamine zwitterion
Zwitterionic form of 4-methylene-L-glutamine having an anionic carboxy group and a cationic amino group; major species at pH 7.3.
Triglycerol monolaurate
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(2-Naphthyl)methanol
A naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group.
Isobutyric acid anhydride
An acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism.
(1-naphthyl)methanol
A naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group.
N-isovalerylglycinate
A monocarboxylic acid anion that is the conjugate base of N-isovalerylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3r)-3-[(1s)-1-hydroxyethyl]-3,6-dihydropyrazine-2,5-diol
(2r)-2-[(1e)-hept-1-en-3,5-diyn-1-yl]-2,3-dihydrofuran
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"}
2-(4-methylphenyl)-1h-imidazole
{"Ingredient_id": "HBIN004475","Ingredient_name": "2-(4-methylphenyl)-1h-imidazole","Alias": "NA","Ingredient_formula": "C10H10N2","Ingredient_Smile": "CC1=CC=C(C=C1)C2=NC=CN2","Ingredient_weight": "158.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9052","PubChem_id": "594045","DrugBank_id": "NA"}
2-Benzylfuran
{"Ingredient_id": "HBIN005356","Ingredient_name": "2-Benzylfuran","Alias": "NA","Ingredient_formula": "C11H10O","Ingredient_Smile": "C1=CC=C(C=C1)CC2=CC=CO2","Ingredient_weight": "158.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36211","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12200729","DrugBank_id": "NA"}
