Exact Mass: 174.0714
Exact Mass Matches: 174.0714
Found 500 metabolites which its exact mass value is equals to given mass value 174.0714,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Shikimic acid
Shikimic acid is a cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a cyclohexenecarboxylic acid, a hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a shikimate. Shikimic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Shikimic acid is a natural product found in Quercus mongolica, Populus tremula, and other organisms with data available. Shikimic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it. Shikimic acid, more commonly known as its anionic form shikimate, is a cyclohexene, a cyclitol and a cyclohexanecarboxylic acid. It is an important biochemical intermediate in plants and microorganisms. Its name comes from the Japanese flower shikimi (the Japanese star anise, Illicium anisatum), from which it was first isolated. Shikimic acid is a precursor for: the aromatic amino acids phenylalanine and tyrosine; indole, indole derivatives and tryptophan; many alkaloids and other aromatic metabolites; tannins; and lignin. In pharmaceutical industry, shikimic acid from chinese star anise is used as a base material for production of Tamiflu (oseltamivir). Although shikimic acid is present in most autotrophic organisms, it is a biosynthetic intermediate and generally found in very low concentrations. A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 175 KEIO_ID S012 Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants. Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants.
Suberic acid
Suberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C6H12(COOH)2. It is present in the urine of patients with fatty acid oxidation disorders (PMID 10404733). A metabolic breakdown product derived from oleic acid. Elevated levels of this unstaruated dicarboxylic acid are found in individuals with medium-chain acyl-CoA dehydrogenase deficiency (MCAD). Suberic acid is also found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, which are also inborn errors of metabolism. Isolated from the roots of Phaseolus vulgaris (kidney bean) CONFIDENCE standard compound; INTERNAL_ID 153 KEIO_ID S013 Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.
Edaravone
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank N - Nervous system Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Indole-3-acetamide
Indole-3-acetamide, also known as 2-(3-indolyl)acetamide or IAM, belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Indole-3-acetamide has been detected, but not quantified, in several different foods, such as Alaska wild rhubarbs, lingonberries, butternut squash, pineapples, and agaves. Indole-3-acetamide is also found in the common pea and has been isolated from the etiolated seedlings of the black gram (Phaseolus mungo). Isolated from etiolated seedlings of the black gram (Phaseolus mungo). 1H-Indole-3-acetamide is found in many foods, some of which are elderberry, barley, american cranberry, and herbs and spices. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids KEIO_ID I030 Indole-3-acetamide is a biosynthesis intermediate of indole-3-acetic acid (HY-18569). Indole-3-acetic acid is the most common natural plant growth hormone of the auxin class[1].
Formiminoglutamic acid
Measurement of this acid in the urine after oral administration of histidine provides the basis for the diagnostic test of folic acid deficiency and of megaloblastic anemia of pregnancy. [HMDB] Measurement of this acid in the urine after oral administration of histidine provides the basis for the diagnostic test of folic acid deficiency and of megaloblastic anemia of pregnancy.
Dimethyl adipate
Dimethyl adipate belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Dimethyl adipate is a potentially toxic compound. Solvent/diluent for flavouring agents [CCD]
2-Propylglutaric acid
2-Propylglutaric 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)
Diethyl succinate
Diethyl succinate is a fatty acid ester. Diethyl succinate is a natural product found in Mimusops elengi, Opuntia ficus-indica, and other organisms with data available. Diethyl butanedioate is a metabolite found in or produced by Saccharomyces cerevisiae. Diethyl succinate, also known as diethyl butanedioate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives from a fatty acid. Flavour ingredient
N-Acetylasparagine
N-Acetyl-L-asparagine or N-Acetylasparagine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylasparagine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylasparagine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-asparagine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylasparagine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free asparagine can also occur. In particular, N-Acetylasparagine can be biosynthesized from L-asparagine and acetyl-CoA by the enzyme NAT1 or the arylamine acetyltransferase I (https://doi.org/10.1096/fasebj.31.1_supplement.821.8). Many N-acetylamino acids are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). A human metabolite taken as a putative food compound of mammalian origin [HMDB] (S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite.
3-Methylpimelic acid
3-Methylpimelic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
4-Methoxy-1-naphthol
Constituent of the roots of Asperula odorata (sweet woodruff). 4-Methoxy-1-naphthol is found in tea, herbs and spices, and beverages. 4-Methoxy-1-naphthol is found in beverages. 4-Methoxy-1-naphthol is a constituent of the roots of Asperula odorata (sweet woodruff).
Ethyladipic acid
Adipic acid (IUPAC systematic name: hexanedioic acid) is a chemical compound of the class of carboxylic acids. Adipic acid is prepared from various fats using oxidation.By far the main use of adipic acid is as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon, the most common form of nylon. --Wikipedia [HMDB] Adipic acid (IUPAC systematic name: hexanedioic acid) is a chemical compound of the class of carboxylic acids. Adipic acid is prepared from various fats using oxidation.By far the main use of adipic acid is as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon, the most common form of nylon. --Wikipedia.
Demethylated antipyrine
Demethylated antipyrine is a novel potent free radical scavenger that has been clinically used to reduce the neuronal damage following ischemic stroke. Demethylated antipyrine exerts neuroprotective effects by inhibiting endothelial injury and by ameliorating neuronal damage in brain ischemia. Demethylated antipyrine provides the desirable features of NOS: it increases eNOS (beneficial NOS for rescuing ischemic stroke) and decreases nNOS and iNOS (detrimental NOS). Post- reperfusion brain edema and hemorrhagic events induced by thrombolytic therapy may be reduced by demethylated antipyrine pretreatment. Increased productions of superoxide and NO in the brain after reperfusion and a concomitant surge in oxygen free radicals with increased NO during recirculation lead to formation of peroxynitrite, a super potent radical. Demethylated antipyrine, which inhibits oxidation and enhances NO production derived from increased eNOS expression, may improve and conserve cerebral blood flow without peroxynitrite generation during reperfusion. Clinical experience with demethylated antipyrine suggests that this drug has a wide therapeutic time window. Demethylated antipyrine can exert a wide range of inhibitory effects on water-soluble and lipid soluble peroxyl radical-induced peroxidation systems, and appears to display combined properties of both, vitamin C and E. Demethylated antipyrine can scavenge not only hydroxyl radicals but also other free radicals, although it has no major effect on superoxide anion radicals. Demethylated antipyrine apparently traps hydroxyl radicals and inhibits OH-dependent lipid peroxidation or tyrosine nitration induced by peroxynitrite (ONOO-). Lipid peroxidation starts with lipid radical (L) production after free radical-mediated extraction of proton from unsaturated fatty acid. Subsequently lipid peroxyl radical (LOO) is generated by addition of oxygen atom, and a further L is produced by LOO-mediated extraction of proton from another unsaturated fatty acid. Demethylated antipyrine can inhibit lipid peroxidation by scavenging not only hydroxyl radicals but also other free radicals including LOO. Under physiological conditions, 50\\% of demethylated antipyrine is present as an anion form, and electrons released from demethylated antipyrine anion exert radical scavenging. Subsequently, demethylated antipyrine radicals are generated. They react readily with oxygen atoms, and form peroxyl radical of demethylated antipyrine, and eventually 2-oxo-3-(phenylhydrazone)- butanoic acid (OPB). (PMID: 16834755, CNS Drug Rev. 2006 Spring;12(1):9-20.) [HMDB] Demethylated antipyrine is a novel potent free radical scavenger that has been clinically used to reduce the neuronal damage following ischemic stroke. Demethylated antipyrine exerts neuroprotective effects by inhibiting endothelial injury and by ameliorating neuronal damage in brain ischemia. Demethylated antipyrine provides the desirable features of NOS: it increases eNOS (beneficial NOS for rescuing ischemic stroke) and decreases nNOS and iNOS (detrimental NOS). Post- reperfusion brain edema and hemorrhagic events induced by thrombolytic therapy may be reduced by demethylated antipyrine pretreatment. Increased productions of superoxide and NO in the brain after reperfusion and a concomitant surge in oxygen free radicals with increased NO during recirculation lead to formation of peroxynitrite, a super potent radical. Demethylated antipyrine, which inhibits oxidation and enhances NO production derived from increased eNOS expression, may improve and conserve cerebral blood flow without peroxynitrite generation during reperfusion. Clinical experience with demethylated antipyrine suggests that this drug has a wide therapeutic time window. Demethylated antipyrine can exert a wide range of inhibitory effects on water-soluble and lipid soluble peroxyl radical-induced peroxidation systems, and appears to display combined properties of both, vitamin C and E. Demethylated antipyrine can scavenge not only hydroxyl radicals but also other free radicals, although it has no major effect on superoxide anion radicals. Demethylated antipyrine apparently traps hydroxyl radicals and inhibits OH-dependent lipid peroxidation or tyrosine nitration induced by peroxynitrite (ONOO-). Lipid peroxidation starts with lipid radical (L) production after free radical-mediated extraction of proton from unsaturated fatty acid. Subsequently lipid peroxyl radical (LOO) is generated by addition of oxygen atom, and a further L is produced by LOO-mediated extraction of proton from another unsaturated fatty acid. Demethylated antipyrine can inhibit lipid peroxidation by scavenging not only hydroxyl radicals but also other free radicals including LOO. Under physiological conditions, 50\\% of demethylated antipyrine is present as an anion form, and electrons released from demethylated antipyrine anion exert radical scavenging. Subsequently, demethylated antipyrine radicals are generated. They react readily with oxygen atoms, and form peroxyl radical of demethylated antipyrine, and eventually 2-oxo-3-(phenylhydrazone)- butanoic acid (OPB). (PMID: 16834755, CNS Drug Rev. 2006 Spring;12(1):9-20.).
3-Propylidene-1(3H)-isobenzofuranone
3-Propylidene-1(3H)-isobenzofuranone is a flavouring ingredien Flavouring ingredient
4,4'-Thiobis-2-butanone
4,4-Thiobis-2-butanone is a flavouring and perfumery ingredient. Flavouring and perfumery ingredient
2,4-Dimethyladipic acid
2,4-Dimethyladipic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Auxin
Auxins are a class of plant growth substances and morphogens (often called phytohormone or plant hormone). Auxins have an essential role in coordination of many growth and behavioral processes in the plants life cycle. IAA (indole-3-acetic acid) is the most abundant and the basic native auxin in plants. Auxin is found in soft-necked garlic.
(E)-indol-3-ylacetaldoxime
(e)-indol-3-ylacetaldoxime is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position (e)-indol-3-ylacetaldoxime is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (e)-indol-3-ylacetaldoxime can be found in a number of food items such as cherimoya, cornmint, blackcurrant, and common grape, which makes (e)-indol-3-ylacetaldoxime a potential biomarker for the consumption of these food products. (e)-indol-3-ylacetaldoxime is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position (e)-indol-3-ylacetaldoxime is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (e)-indol-3-ylacetaldoxime can be found in a number of food items such as peppermint, wakame, sweet marjoram, and cashew nut, which makes (e)-indol-3-ylacetaldoxime a potential biomarker for the consumption of these food products.
5-(1,2-Epoxypropyl)-benzofuran|5-(2-Methyloxiranyl)benzofuran
3-Hydroxy-4-hydroxymethyl-4-pentenoic acid ethyl ester
Shikimic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants. Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants.
edaravone
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank N - Nervous system Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Na-Acetyl-L-asparagine
(S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite.
PRI_175.0866_12.2
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 1603
Suberic acid
An alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.
indole-3-acetamide
A member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids Indole-3-acetamide is a biosynthesis intermediate of indole-3-acetic acid (HY-18569). Indole-3-acetic acid is the most common natural plant growth hormone of the auxin class[1].
Juarezic Acid
Cinnamylideneacetic acid is a photoresponsive compound which is capable of a photoinduced [2+2] cycloaddition[1].
Suberate
Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency. Suberic acid (Octanedioic acid) is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.
N-Acetylasparagine
(S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite.
Thiophene, 2,5-dihydro-2-methyl-4-(1-methylethyl)-, 1,1-dioxide (9CI)
Thiophene, 2,3-dihydro-5-methyl-2-(1-methylethyl)-, 1,1-dioxide (9CI)
2,6-Pyrazinedicarbonitrile,3-amino-5-(methylamino)-(9CI)
1-(5-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
(3aR,8bS)-3,3a,4,8b-Tetrahydro-2H-indeno[1,2-b]furan-2-one
1-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBALDEHYDE
6,7-Dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-3-methanamine
2,8-DIMETHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
Methyl 4-(hydroxyMethyl)tetrahydro-2H-pyran-4-carboxylat
(6-(DIMETHOXYMETHYL)FURO[3,2-B]PYRIDIN-2-YL)-METHANOL
5-(chloromethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
(4S,5R)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
(4,4-DIMETHYLCYCLOHEXA-1,5-DIENYL)BORONIC ACID MONOSODIUM SALT
3,5-dimethylpyrazole-1-carboximidamide hydrochloride
(1-Aminoisoquinolin-6-yl)methanol, 1-Amino-6-(hydroxymethyl)-2-azanaphthalene
6,7-DIHYDRO-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLE-3-METHANAMINEHYDROCHLORIDE
(4-chloro-5-ethyl-2-methyl-2H-pyrazol-3-yl)-methanol
[METHYL-(2-OXO-CYCLOBUTYL)-AMINO]-ACETONITRILE HYDROCHLORIDE
(S)-(+)-2-ISOCYANATO-3-TERT-BUTOXYPROPIONICACIDMETHYLESTER
2-methyl-3-phenyl-2-cyclopropene-1-carboxylic acid
(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(4-NITROPHENYL)AMINE
Ethanone, 1-(1-methyl-1H-benzimidazol-2-yl)- (9CI)
3,5-dimethyl-1-benzofuran-2-carbaldehyde(SALTDATA: FREE)
methyl (4s)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate
3-METHYL-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE HYDROCHLORIDE
Thiophene, 2,3-dihydro-5-methyl-4-(1-methylethyl)-, 1,1-dioxide (9CI)
cadaverine dihydrochloride
Pentane-1,5-diamine dihydrochloride is an endogenous metabolite.
1,4,4a,8a-Tetrahydro-1,4-methano-naphthalene-5,8-dione
1,4-Diacetoxybutane
An acetate ester obtained by the formal condensation of the two hydroxy groups of butane-1,4-diol with two molecules of acetic acid
1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5,7(1aH)-dione,hexahydro-
METHYL(2R,3S)-2,3-O-ISOPROPYLIDENE-2,3-DIHYDROXYBUTYRATE
Furo[2,3-d]oxazole-5-methanol,2-amino-3a,5,6,6a-tetrahydro-6-hydroxy-, (3aR,5R,6R,6aS)-
(2-AMINOETHYL)TRIMETHYLAMMONIUM CHLORIDE HYDROCHLORIDE
7-HYDROXY-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Indole-3-acetate
An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid.
5-Phenylpenta-2,4-dienoic acid
Cinnamylideneacetic acid is a photoresponsive compound which is capable of a photoinduced [2+2] cycloaddition[1].
4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbonitrile
3-Methyl-2-indolate
An indolecarboxylate obtained by deprotonation of the carboxy group of 3-methyl-2-indolic acid; major species at pH 7.3.
Citrullinate
An alpha-amino acid anion that is the conjugate base of citrulline, obtained by deprotonation of the carboxy group.
(2E)-1,4-dimethoxybut-2-en-1-yl acetate
An olefinic compound that is but-2-en-1-yl acetate substituted by methoxy groups at positions 1 and 4 respectively.
(4S,5S)-4,5-Bis(methoxymethyl)-2-methylene-1,3-dioxolane
Formiminoglutamic acid
The N-formimidoyl derivative of L-glutamic acid
(2S)-2-Isopropyl-3-oxosuccinic acid
An oxo dicarboxylic acid that is 2-ketosuccinic acid (oxalacetic acid) in which the 3-pro-S hydrogen is substituted by an isopropyl group.
(2s)-2-amino-3-(5-oxo-1,2-oxazolidin-2-yl)propanoic acid
(3r,4r,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
2-(1,4-dihydroxycyclohexanyl)-aceticacid
{"Ingredient_id": "HBIN003530","Ingredient_name": "2-(1,4-dihydroxycyclohexanyl)-aceticacid","Alias": "NA","Ingredient_formula": "C8H14O4","Ingredient_Smile": "C1CC(CCC1O)(CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5799","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7-dihydroxy-5-octanolide
{"Ingredient_id": "HBIN007777","Ingredient_name": "3,7-dihydroxy-5-octanolide","Alias": "NA","Ingredient_formula": "C8H14O4","Ingredient_Smile": "CC(CC1CC(CC(=O)O1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
