Exact Mass: 158.0732
Exact Mass Matches: 158.0732
Found 500 metabolites which its exact mass value is equals to given mass value 158.0732,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
Isopropylmaleic acid
2-Isopropylmaleic acid belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually they are saturated and contain one or more methyl groups. However, branches other than methyl groups may be present. 2-Isopropylmaleic acid is a moderately acidic compound (based on its pKa). Isopropylmaleic acid is found in the leucine biosynthesis pathway. It is synthesized from oxoisovalerate by 2-isopropylmalate synthase and converted into isopropyl-3-oxosuccinate by 3-isopropylmalate dehydrogenase. The 2- and 3-isopropyl derivatives of isopropylmaleic acid are interconverted by the enzyme isopropylmalate dehydratase.
(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
CYCLOHEXANECARBOXYLIC ACID, 4-HYDROXY-3-OXO- (9CI)
(5R,6R)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
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].
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/]")
xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one is found in numerous cooked or stored foods such as cooked vegetables, bread crust, caramelised sugar products and dehydrated orange juice powder. Intermediate produced in Maillard reaction; formed in non-enzymic browning reactions; synthetic from aldohexoses and secondary amines. Found in numerous cooked or stored foods such as cooked vegetables, bread crust, caramelised sugar products and dehydrated orange juice powder. Intermed. production in Maillard reaction; formed in non-enzymic browning reactions; synth. from aldohexoses and secondary amines
Succinylacetone
Succinylacetone, also known as 4,6-dioxoheptanoic acid or SUAC, belongs to the class of compounds known as medium-chain keto acids and derivatives. These are keto acids with 6 to 12 carbon atoms. Succinylacetone is soluble (in water) and a weakly acidic compound (based on its pKa). Succinylacetone has been detected in amniotic fluid, blood, and urine. Within the cell, succinylacetone is primarily located in the cytoplasm (predicted from logP). Succinylacetone can be created by the oxidation of glycine, and is a precursor of methylglyoxal (Wikipedia). Succinylacetone is an abnormal tyrosine metabolite that arises from defects in the enzyme called fumarylacetoacetase (PMID: 16448836). Fumarylacetoacetase normally catalyzes the hydrolysis of 4-fumarylacetoacetate into fumarate and acetoacetate. If present in sufficiently high levels, succinylacetone can act as an acidogen, an oncometabolite, and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. An oncometabolite is an endogenous metabolite that causes cancer. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of succinylacetone are associated with tyrosinemia type I. Type I tyrosinemia is an inherited metabolism disorder due to a shortage of the enzyme fumarylacetoacetate hydrolase that is needed to break down tyrosine. Patients usually develop features such as hepatic necrosis, renal tubular injury, and hypertrophic cardiomyopathy. Neurologic and dermatologic manifestations are also possible. The urine has an odour of cabbage or rancid butter. Succinylacetone is a keto-acid, which is a subclass of organic acids. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated tyrosinemia. Many affected children with organic acidemias experience intellectual disability or delayed development. Succinylacetone appears to function as an oncometabolite (similar in function to succinate, another oncometabolite) as patients with high levels of this compound often develop hepatocellular carcinoma (PMID: 20003495). Succinylacetone is a tyrosine metabolite (PMID 16448836). It is a specific marker for Tyrosinemia type I. Type I tyrosinemia is an inherited metabolism disorder due to a shortage of the enzyme fumarylacetoacetate hydrolase that is needed to break down tyrosine. [HMDB] D004791 - Enzyme Inhibitors 4,6-Dioxoheptanoic acid is a potent inhibitor of heme biosynthesis.
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.
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]
Ethyl 5-oxotetrahydro-2-furancarboxylate
Ethyl 5-oxotetrahydro-2-furancarboxylate belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups Flavouring compound [Flavornet]
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.
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.
2-Azabicyclo[4.1.0]hept-2-en-3-amine, 7-chloro-5-methyl-, (1S,5S,6R,7R)-
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
3-Acetyl-3-hydroxy-4,5-dihydro-4-methyl-2(3H)-furanone
5-hydroxy-3-[(1S)-1-hydroxyethyl]-4-methylfuran-2(5H)-one|5-hydroxyl-3-[(1S)-1-hydroxyethyl]-4-methylfuran-2(5H)-one
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].
Succinylacetone
D004791 - Enzyme Inhibitors 4,6-Dioxoheptanoic acid is a potent inhibitor of heme biosynthesis.
4,6-Dioxoheptanoic acid
A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. D004791 - Enzyme Inhibitors 4,6-Dioxoheptanoic acid is a potent inhibitor of heme biosynthesis.
xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
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)
(3AS,6AR)-TETRAHYDRO-4-METHOXY FURO (3,4-B)FURAN-2(3H)-ONE
1-METHYL-1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBONITRILE
(4,5-DICHLORO-1H-IMIDAZOL-1-YL)(2-THIENYL)METHANONE
2-methyl-4-carboxy-5-hydroxy-3,4,5,6-tetrahydropyrimidine
1,2-Cyclopropanedicarboxylicacid,monoethylester(9CI)
1H-1,3-Diazepine-4-carboxylicacid,hexahydro-2-oxo-,(R)-(9CI)
3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
(3aS,4S,6aR)-4-methoxy-tetrahydro-furo[3.4-b]furan-2(3H)-one
1H-Imidazole-4-carboxylicacid,2-hydrazino-4,5-dihydro-,methylester(9CI)
1-(3,5-DICHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBONYLCHLORIDE
1-(3-Methyl-2-pyridinyl)methanamine hydrochloride (1:1)
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
5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
(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.
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic 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
3-methyladipate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-methyladipic acid.
(2-Naphthyl)methanol
A naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group.
(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.
pimelate(2-)
A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of pimelic acid.
5-hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one
6-(hydroxymethyl)-4-methoxy-5,6-dihydropyran-2-one
(3r)-3-[(1s)-1-hydroxyethyl]-3,6-dihydropyrazine-2,5-diol
(5s)-5-hydroxy-3-methoxy-2-methyl-5,6-dihydropyran-4-one
(4r,5r,6s)-4,5,6-trihydroxy-2-methylcyclohex-2-en-1-one
(4r,5r,6r)-4,5,6-trihydroxy-2-methylcyclohex-2-en-1-one
(5r)-3-hydroxy-5-methoxy-2-methyl-5,6-dihydropyran-4-one
(2r)-2-[(1e)-hept-1-en-3,5-diyn-1-yl]-2,3-dihydrofuran
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"}
