Exact Mass: 226.1137488
Exact Mass Matches: 226.1137488
Found 500 metabolites which its exact mass value is equals to given mass value 226.1137488,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carnosine
Carnosine, which is also known as beta-alanyl-L-histidine) is a dipeptide consisting of the amino acids beta-alanine and histidine. It is found exclusively in animal tissues and is naturally produced in the body by the liver. Carnosine has a pKa value of 6.83, making it a good buffer for the pH range of animal muscles. Since beta-alanine is a non-proteogenic amino acid and is not incorporated into proteins, carnosine can be stored at relatively high concentrations (millimolar) in muscles, with concentrations as high as 17–25 mmol/kg (dry muscle). Carnosine is also highly concentrated in brain tissues. Carnosine has been shown to scavenge reactive oxygen species (ROS) as well as alpha-beta unsaturated aldehydes formed from peroxidation of fatty acids during oxidative stress. The antioxidant mechanism of carnosine is attributed to its chelating effect against divalent metal ions, superoxide dismutase (SOD)-like activity, as well as its ROS and free radicals scavenging ability (PMID: 16406688). Carnosine also buffers muscle cells, and acts as a neurotransmitter in the brain. Carnosine has the potential to suppress many of the biochemical changes that accompany ageing (e.g. protein oxidation, glycation, AGE formation, and cross-linking) and associated pathologies (PMID: 16804013). Some autistic patients take carnosine as a dietary supplement and attribute an improvement in their condition to it. Supplemental carnosine may increase corticosterone levels. This may explain the "hyperactivity" seen in autistic subjects at higher doses. A positive association between muscle tissue carnosine concentration and exercise performance has been found. β-Alanine supplementation is thought increase exercise performance by promoting carnosine production in muscle. Exercise has conversely been found to increase muscle carnosine concentrations, and muscle carnosine content is higher in athletes engaging in anaerobic exercise. Carnosine is also a biomarker for the consumption of meat. Elevated levels of urinary and plasma carnosine are associated with carnosinuria (also known as carnosinemia), which is an inborn error of metabolism. caused by a deficiency of the enzyme carnosinase. Carnosinas cleaves carnosine into its constituent amino acids: β-Alanine and histidine. Carnonsinemia results in an excess of carnosine in the urine, cerebrospinal fluid, blood, and nervous tissue. A variety of neurological symptoms have been associated with carnosinemia. They include: hypotonia, developmental delay, mental retardation, degeneration of axons, sensory neuropathy, tremors, demyelinization, gray matter anomalies, myoclonic seizures, and loss of purkinje fibers. [Spectral] Carnosine (exact mass = 226.10659) and L-Lysine (exact mass = 146.10553) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. L-Carnosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=305-84-0 (retrieved 2024-07-02) (CAS RN: 305-84-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging.
Amobarbital
Amobarbital is only found in individuals that have used or taken this drug. It is a barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565)Amobarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Amobarbital also appears to bind neuronal nicotinic acetylcholine receptors. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Metyrapone
Metyrapone is only found in individuals that have used or taken this drug. It is an inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome. [PubChem]The pharmacological effect of Metopirone is to reduce cortisol and corticosterone production by inhibiting the 11-ß-hydroxylation reaction in the adrenal cortex. Removal of the strong inhibitory feedback mechanism exerted by cortisol results in an increase in adrenocorticotropic hormone (ACTH) production by the pituitary. With continued blockade of the enzymatic steps leading to production of cortisol and corticosterone, there is a marked increase in adrenocortical secretion of their immediate precursors, 11-desoxycortisol and desoxycorticosterone, which are weak suppressors of ACTH release, and a corresponding elevation of these steroids in the plasma and of their metabolites in the urine. These metabolites are readily determined by measuring urinary 17-hydroxycorticosteroids (17-OHCS) or 17-ketogenic steroids (17-KGS). Because of these actions, metopirone is used as a diagnostic test, with urinary 17-OHCS measured as an index of pituitary ACTH responsiveness. Metopirone may also suppress biosynthesis of aldosterone, resulting in a mild natriuresis. V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites KEIO_ID M111; [MS2] KO009044 D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor KEIO_ID M111
12-Hydroxyjasmonic acid
An oxo carboxylic acid that is jasmonic acid in which one of the hydrogens of the methyl group is replaced by a hydroxy group.
Deoxylapachol
2-demethylmenaquinone is a naphthoquinone and a member of p-quinones. It has a role as an Escherichia coli metabolite. Deoxylapachol is a natural product found in Tectona grandis, Handroanthus impetiginosus, and other organisms with data available. Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity[1]. Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity[1].
Allixin
Constituent of garlic (Allium sativum). Potential nutriceutical. Allixin is found in garlic, soft-necked garlic, and onion-family vegetables. Allixin is found in onion-family vegetables. Allixin is a constituent of garlic (Allium sativum). Potential nutriceutical.
2-Phenylethyl benzoate
2-phenylethyl benzoate, also known as benzylcarbinyl benzoate, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. 2-phenylethyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-phenylethyl benzoate is a balsam, floral, and honey tasting compound found in ceylon cinnamon and linden, which makes 2-phenylethyl benzoate a potential biomarker for the consumption of these food products. 2-Phenylethyl benzoate is found in ceylan cinnamon. 2-Phenylethyl benzoate is a flavouring ingredient.
Histidylalanine
Histidylalanine is a dipeptide composed of histidine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Alanylhistidine
Alanylhistidine is a dipeptide composed of alanine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Phenylmethyl benzeneacetate
Phenylmethyl benzeneacetate is used in food flavouring. It is used in food flavouring.
3-[(2-Methyl-3-furanyl)thio]-4-heptanone
Meat flavouring ingredient. Meat flavouring ingredient
p-Tolyl phenylacetate
p-Tolyl phenylacetate is a flavouring ingredient. Flavouring ingredient
3,4-Methylenesebacic acid
3,4-Methylenesebacic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
5-[[Methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
Nimorazole
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
beta-Alanyl-L-histidine
Phosphoglucomutase, also known as rnase, pancreatic or pancreatic rnase, is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Phosphoglucomutase is soluble (in water) and a weakly acidic compound (based on its pKa). Phosphoglucomutase can be found in soy bean, which makes phosphoglucomutase a potential biomarker for the consumption of this food product. Phosphoglucomutase (EC 5.4.2.2) is an enzyme that transfers a phosphate group on an α-D-glucose monomer from the 1 to the 6 position in the forward direction or the 6 to the 1 position in the reverse direction .
Senkyunolide N
Senkyunolide j is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Senkyunolide j is soluble (in water) and a very weakly acidic compound (based on its pKa). Senkyunolide j can be found in wild celery, which makes senkyunolide j a potential biomarker for the consumption of this food product.
7-Epi-12-hydroxyjasmonic acid
7-epi-12-hydroxyjasmonic acid, also known as (+)-12-hydroxy-7-isojasmonate, is a member of the class of compounds known as jasmonic acids. Jasmonic acids are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Thus, 7-epi-12-hydroxyjasmonic acid is considered to be an octadecanoid lipid molecule. 7-epi-12-hydroxyjasmonic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 7-epi-12-hydroxyjasmonic acid can be synthesized from (+)-7-isojasmonic acid. 7-epi-12-hydroxyjasmonic acid can also be synthesized into N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine and methyl tuberonate. 7-epi-12-hydroxyjasmonic acid can be found in potato, which makes 7-epi-12-hydroxyjasmonic acid a potential biomarker for the consumption of this food product.
1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
(1R,4aS,5R,7R,7aR)-1-ethoxy-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methylcyclopenta[c]pyran-4-carbaldehyde|incarvilleaol
Tuberonic acid
An oxo monocarboxylic acid that is (+)-7-isojasmonic acid in which one of the hydrogens of the side-chain methyl group is replaced by a hydroxy group.
(6E,9R,10R)-4,5-9,10-tetrahydro-9-hydroxy-10-propyl-3H-oxecin-2,8-dione|(8R,9R)-8-hydroxy-7-oxo-9-propyl-5-nonen-9-olide|staganolide A|stagonolide|stagonolide A
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one|(4S,6R)-dihydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methyl-cyclohex-2-en-1-one|acremine A
2alpha,6alpha-dihydroxy-5-[(E)-3-hydroxy-3-methyl-1-butenyl]-6-methyl-4-cyclohexen-3-one
13-acetoxy-trideca-1,3t,5t,11t-tetraene-7,9-diyne|Ac-(all-E)-2,8,10,12-Tridecatetraene-4,6-diyn-l-ol|all-trans-Tridecatetraen-(2,8,10,12)-diin-(4,6)-yl-acetat
Senkyunolide J
3alpha-Butyl-4,5,6,7-tetrahydro-6alpha,7beta-dihydroxy-1(3H)-isobenzofuranone is a natural product found in Apium graveolens with data available.
(2E,4E,6E,12Z)-Me ester-2,4,6,12-Tetradecatetraene-8,10-diynoic acid|Tetradeca-2,4,6,12-tetraen-8,10-diin-1-saeuremethylester
13-acetoxy-trideca-8t,10t-diene-2,4,6-triyne|3E,5E-tridecadien-7,9,11-triinyl acetate|Ac-(E,E)-3,5-Triecadiene-7,9,11-triyn-1-ol|Trideca-8,10-dien-2,4,6-triin-13-ol-acetat
1,1,6-trimethylazuleno[1,8-cd]pyran-3(1H)-one|oreolactone
methyl 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Spectrum5_000309
Pinosylvin methyl ether is a stilbenoid. Pinosylvin methyl ether is a natural product found in Alpinia hainanensis, Pinus contorta var. latifolia, and other organisms with data available.
L-Carnosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.044 L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging.
carnosine
A dipeptide that is the N-(beta-alanyl) derivative of L-histidine. C26170 - Protective Agent > C275 - Antioxidant L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging.
C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid
C12H18O4_2-Cyclohexen-1-one, 4,6-dihydroxy-3-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-6-methyl-, (4R,6S)
Ala-his
A dipeptide formed from L-alanyl and L-histidine residues.
His-ala
A dipeptide formed from L-histidine and L-alanine residues.
4-Amino-1-benzylpiperidine dihydrochloride hydrate
C12H19ClN2 (226.12366839999999)
6-Isoquinolinol,1,2,3,4-tetrahydro-1-(4-pyridinyl)-(9CI)
(5-Amino-2-fluorophenyl)-carbamic acid tert-butyl ester
2-Methyl-2-Propanyl (3-Amino-4-Fluorophenyl)Carbamate
Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride
Benzenamine,N,N-dimethyl-4-[2-(2-pyridinyl)diazenyl]-
Phosphonous acid,P-phenyl-, bis(1-methylethyl) ester
2-FLUORO-4-N-PENTYLOXYBENZOIC ACID
C12H15FO3 (226.10051719999998)
Uracil,5-acetamido-1,3-dimethyl-6-methylamino- (6CI)
3-METHYL-1-PHENYL-6,7-DIHYDRO-1H-INDAZOL-4(5H)-ONE
1-(2,3-Xylyl)piperazine monohydrochloride
C12H19ClN2 (226.12366839999999)
8-phenyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
(1R,2R,4R)-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
(2-AMINO-3-FLUORO-PHENYL)-CARBAMICACID TERT-BUTYLESTER
6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol
C13H19ClO (226.11243539999998)
1-propyl-2,3-dimethylimidazolium tetrafluoroborate
C8H15BF4N2+ (226.12643479999997)
Propanedioic acid, 2-cyclopenten-1-yl-, diethyl ester
2-(3,6-Dihydro-2H-thiopyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C11H19BO2S (226.11987440000001)
1,4-Dioxaspiro[4.5]dec-7-ene-8-carboxylic acid, 7-Methyl-, ethyl ester
(4-Ethyl-4-biphenylyl)boronic acid
C14H15BO2 (226.11650400000002)
1-Butyl-3-methylimidazolium tetrafluoroborate
C8H15BF4N2 (226.12643479999997)
4-Cyclohexene-1,2-dicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel-
2-Pyrimidinamine, 4-chloro-N-(4-piperidinylmethyl)-
C10H15ClN4 (226.09851799999998)
2,6-diamino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid,dihydrochloride
4-BENZYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1(2H)-ONE
3-Fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenol
C12H15FO3 (226.10051719999998)
methyl 2-methylprop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
5-Amino-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazole-4-carbonitrile
N-methyl-[5-(morpholinomethyl)thien-2-ylmethyl]amine
(1-(tert-Butoxycarbonyl)-3-methyl-1H-pyrazol-5-yl)boronic acid
1-Benzylpiperidin-3-amine hydrochloride
C12H19ClN2 (226.12366839999999)
1H-Pyrazolo[3,4-d]pyrimidine,4-hydrazinyl-1-phenyl-
(8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL)METHANAMINE DIHYDROCHLORIDE
4-[(4-methoxyphenyl)amino]benzenediazonium
C13H12N3O+ (226.09803219999998)
4-PHENYL-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE
Chromium(3+),tris(1,2-ethanediamine-kN1,kN2)-, chloride (1:3), (OC-6-11)-
C6H18CrN6 (226.09979679999998)
Thiourea,N-[5-(1H-imidazol-4-yl)pentyl]-N-methyl- (9CI)
2-Methyl-[1,1-Biphenyl]-4-Carboxylic Acid Methyl Ester
3,5-Difluorobenzeneboronic acid neopentyl glycol cyclic ester
C11H13BF2O2 (226.09766120000003)
Benzenemethanol, 4-chloro-.alpha.-hexyl-
C13H19ClO (226.11243539999998)
Ethyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]propanoate
C12H15FO3 (226.10051719999998)
(3,5-dimethyl-[1,1-biphenyl]-4-yl)boronic acid
C14H15BO2 (226.11650400000002)
(1-(pyridin-2-yl)cyclohexyl)MethanaMine
C12H19ClN2 (226.12366839999999)
2-ethyl-2,3-dihydro-2-(1H-imidazol-5-yl)-1H-Inden-1-one
1-(2-Chloro-5-Methyl-pyriMidin-4-yl)-[1,4]diazepane
C10H15ClN4 (226.09851799999998)
1-(2-CHLORO-PHENYL)-N1,N1-DIETHYL-ETHANE-1,2-DIAMINE
C12H19ClN2 (226.12366839999999)
2-(HEXAHYDRO-1H-PYRROLIZIN-7A-YL)ETHANAMINE DIHYDROCHLORIDE
(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
1H-Indole,2,3-dihydro-5-methoxy-2-(4-pyridinyl)-(9CI)
1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-2-(4-METHOXYPHENYL)ETHANONE
N(2)-methylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a methoxy group at position 7 and methyl groups at positions 1 and 2. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
Nimorazole
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
(2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-(1H-imidazol-5-yl)propanoate
2-[2-[(Z)-4-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
4-(hydroxymethyl)-3-(5-methylhexanoyl)-5H-furan-2-one
(1R)-3-Oxo-2beta-[(Z)-4-hydroxy 2-pentenyl]cyclopentane-1alpha-acetic acid
Fujikurin D
A pyrandione that is dihydro-2H-pyran-2,4(3H)-dione in which the hydrogens at positions 3, 5 and 6 are substituted by 1-hydroxy-2-methylbutylidene, methyl, and methyl groups, respectively. It is a natural product isolated from the fungus Fusarium fujikuroi.
2-[2-[(E)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
metyrapone
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Phenethyl benzoate
A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of 2-phenylethanol.
Ala-His zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-His.
His-Ala zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Ala. Major species at pH 7.3.
6-[(2r)-4-hydroxypentan-2-yl]-4-methoxy-3-methylpyran-2-one
6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
3-ethyl-1-(2-methoxy-2-oxoethyl)cyclohex-2-ene-1-carboxylic acid
(1r,5r)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carboxylic acid
5,8-dihydroxy-12-methyl-1-oxacyclododeca-3,6-dien-2-one
(1r,4as,5r,7r,7ar)-1-ethoxy-5-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carbaldehyde
(2e,5e,7s)-8-methoxy-3,5,7-trimethyl-8-oxoocta-2,5-dienoic acid
(1R, 2R)-5'-hydroxyjasmonic acid
{"Ingredient_id": "HBIN003055","Ingredient_name": "(1R, 2R)-5'-hydroxyjasmonic acid","Alias": "(1r,2r)-5'-hydroxyjasmonicacid","Ingredient_formula": "C12H18O4","Ingredient_Smile": "C1CC(=O)C(C1CC(=O)O)CC=CCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42365;10268","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol
{"Ingredient_id": "HBIN003568","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol","Alias": "NA","Ingredient_formula": "C12H18O4","Ingredient_Smile": "CCOC(C1=C(C=CC(=C1)OC)O)C(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7405","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol(i)
{"Ingredient_id": "HBIN003571","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol(i)","Alias": "NA","Ingredient_formula": "C12H18O4","Ingredient_Smile": "CCOC(C1=C(C=CC(=C1)OC)O)C(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25753","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(4-ethylphenyl)benzoic acid
{"Ingredient_id": "HBIN009957","Ingredient_name": "4-(4-ethylphenyl)benzoic acid","Alias": "SBB000662; 4-Ethylbiphenyl-4'-carboxylic acid; 4'-Ethyl-4-biphenylcarboxylic acid","Ingredient_formula": "C15H14O2","Ingredient_Smile": "CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O","Ingredient_weight": "226.27 g/mol","OB_score": "42.0591024","CAS_id": "NA","SymMap_id": "SMIT07240","TCMID_id": "NA","TCMSP_id": "MOL005490","TCM_ID_id": "NA","PubChem_id": "521801","DrugBank_id": "NA"}
