Exact Mass: 264.1110016
Exact Mass Matches: 264.1110016
Found 500 metabolites which its exact mass value is equals to given mass value 264.1110016,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-Abscisic acid
(2Z,4E)-5-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
(+)-abscisic acid is the naturally occurring (1S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. It has a role as a plant hormone and a plant metabolite. It is a conjugate acid of a (+)-abscisate. It is an enantiomer of a (-)-abscisic acid. Abscisic acid is a natural product found in Macaranga triloba, Cuscuta pentagona, and other organisms with data available. Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits. Constituent of cabbage, potato, lemon etc. (S)-Abscisic acid is found in many foods, some of which are common wheat, peach, garden tomato (variety), and yellow wax bean. (S)-Abscisic acid is found in alcoholic beverages. (S)-Abscisic acid is a constituent of cabbage, potato, lemon etc D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D006133 - Growth Substances > D010937 - Plant Growth Regulators Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2]. Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2].
Florilenalin
Florilenalin is a sesquiterpene lactone. Florilenalin is a natural product found in Gaillardia pulchella, Hymenoxys odorata, and other organisms with data available.
Granilin
Granilin is a eudesmane sesquiterpenoid. Granilin is a natural product found in Inula grandis, Artemisia aschurbajewii, and Asteraceae with data available. Granilin, a sesquiterpene lactone, can be found in the flower buds of Carpesium triste. Granilin can be used as the bactericide and fungicide[1].
Acetyl-N-formyl-5-methoxykynurenamine
Acetyl-N-formyl-5-methoxykynurenamine (AFMK) results from the oxidative cleavage of the pyrrole ring during melatonin oxidation by myeloperoxidase (MPO), a superoxide anion (O)-dependent reaction. AFMK is also expected to be formed from oxidation catalyzed by the unspecific enzyme indoleamine-2,3-dioxygenase (IDO), found in a variety of cell types including monocyte/macrophage lineages. MPO- and IDO-catalyzed melatonin oxidation has the requirement of O in common, a species formed in large amounts in inflammatory conditions. The non-enzymatic formation of AFMK can also be expected by its direct reaction with highly reactive oxygen species, such as hydroxyl radical and singlet oxygen. Thus, we assume that AFMK is a product formed in a route of melatonin metabolism, especially active in inflammation. As AFMK is biologically more active on leukocytes than melatonin, the metabolizing of melatonin to AFMK at inflammatory sites possibly plays a role in immunomodulation. AFMK is found in the CSF of patients with meningitis, and in some samples at a remarkably high concentration, with AFMK found in some patients exceeding the concentration of melatonin normally found in serum. (PMID: 16150112) [HMDB] Acetyl-N-formyl-5-methoxykynurenamine (AFMK) results from the oxidative cleavage of the pyrrole ring during melatonin oxidation by myeloperoxidase (MPO), a superoxide anion (O)-dependent reaction. AFMK is also expected to be formed from oxidation catalyzed by the unspecific enzyme indoleamine-2,3-dioxygenase (IDO), found in a variety of cell types including monocyte/macrophage lineages. MPO- and IDO-catalyzed melatonin oxidation has the requirement of O in common, a species formed in large amounts in inflammatory conditions. The non-enzymatic formation of AFMK can also be expected by its direct reaction with highly reactive oxygen species, such as hydroxyl radical and singlet oxygen. Thus, we assume that AFMK is a product formed in a route of melatonin metabolism, especially active in inflammation. As AFMK is biologically more active on leukocytes than melatonin, the metabolizing of melatonin to AFMK at inflammatory sites possibly plays a role in immunomodulation. AFMK is found in the CSF of patients with meningitis, and in some samples at a remarkably high concentration. AFMK was also found in some patients to exceed the concentration of melatonin normally found in serum (PMID: 16150112).
Phenylacetylglutamine
Phenylacetylglutamine is a product formed from the conjugation of phenylacetate and glutamine. Technically, it is the amino acid acetylation product of phenylacetate (or phenylbutyrate after beta-oxidation). Phenylacetylglutamine is a normal constituent of human urine, but other mammals such as the dog, cat, rat, monkey, sheep, and horse do not excrete this compound. Phenylacetyl-CoA and L-glutamine react to form phenylacetylglutamine and coenzyme A. The enzyme (glutamine N-acetyl transferase) that catalyzes this reaction has been purified from human liver mitochondria and shown to be a polypeptide species distinct from glycine-N-acyltransferase. Phenylacetylglutamine is a major nitrogenous metabolite that accumulates in uremia (PMID: 2791363, 8972626). It has been shown that over 50\\\% of urine phenylacetylglutamine may be derived from kidney conjugation of free plasma phenylacetic acid and/or from the kidneys preferential filtration of conjugated phenylacetic acid (PMID: 6420430). Phenylacetylglutamine is a microbial metabolite found in Christensenellaceae, Lachnospiraceae and Ruminococcaceae (PMID: 26241311). Phenylacetylglutamine is a product formed by the conjugation of phenylacetate and glutamine. Technically it is the amino acid acetylation product of phenylacetate (or phenylbutyrate after beta-oxidation). Phenylacetylglutamine is a normal constituent of human urine, but other mammals including the dog, cat, rat, monkey, sheep and horse do not excrete this compound. Phenylacetyl CoA and glutamine react to form phenylacetyl glutamine and Coenzyme A. The enzyme (Glutamine N-acetyl transferase) that catalyzes this reaction has been purified from human liver mitochondria and shown to be a distinct polypeptide species from glycine-N-acyltransferase. Phenylacetylglutamine is a major nitrogenous metabolite that accumulates in uremia. (PMID: 2791363; PMID: 8972626). It has been shown that over 50\\\% of urine phenylacetylglutamine may be derived from kidney conjugation of free plasma phenylacetic acid and/or from the kidneys preferential filtration of conjugated phenylacetic acid (PMID: 6420430) Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
Vulgarin
Vulgarin is found in mugwort. Vulgarin is a constituent of Artemisia vulgaris (mugwort) Constituent of Artemisia vulgaris (mugwort). Vulgarin is found in mugwort.
Amaralin
An azulenofuran that is decahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one substituted by a hydroxy group at position 8, methyl groups at positions 2 and 7a and a methylidene group at position 6.
Baileyin
Coronopilin
Ludovicin A
Perlolyrine
Alkaloid from Korean ginseng and Japanese soy sauce. Perlolyrine is found in saffron, soy bean, and herbs and spices. Perlolyrine is found in herbs and spices. Perlolyrine is an alkaloid from Korean ginseng and Japanese soy sauc
1'-Acetoxyeugenol acetate
1-Acetoxyeugenol acetate is found in herbs and spices. 1-Acetoxyeugenol acetate is a constituent of Alpinia galanga (greater galangal). Constituent of Alpinia galanga (greater galangal). 1-Acetoxyeugenol acetate is found in herbs and spices.
N(2)-phenylacetyl-L-glutaminate
N(2)-phenylacetyl-L-glutaminate is considered to be practically insoluble (in water) and acidic
Gamma-CEHC
gamma-CEHC (gamma-carboxyethyl hydroxychroman) is a metabolite of vitamin E. Smokers have a significantly higher excretion level of urinary gamma-CEHC, and therefore require more vitamin E compared to non-smokers. Cigarette smoking is associated with increased oxidative stress and increased risk of degenerative disease. As the major lipophilic antioxidant, requirements for vitamin E may also be higher in smokers due to increased utilization (PMID: 15493460). gamma-CEHC is metabolites of Vitamin E.
Ilicifolinoside A
Ilicifolinoside A is found in alcoholic beverages. Ilicifolinoside A is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). Ilicifolinoside A is found in alcoholic beverages and fruits.
Cinnamyl cinnamate
Cinnamyl cinnamate occurs in storax and Peruvian balsam. Cinnamyl cinnamate is a flavouring agent. Occurs in storax and Peruvian balsam. Flavouring agent
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside is found in alcoholic beverages. (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-glucoside is found in alcoholic beverages and fruits.
di-Hydroxymelatonin
di-Hydroxymelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Carbocyclic 3-deazaadenosine
C12H16N4O3 (264.12223459999996)
3-(3-Hydroxy-4-methoxynaphthalen-1-yl)oxypropane-1,2-diol
Nictindole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
4(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-
3beta-Chlorodehydrocostuslactone
3beta-chlorodehydrocostuslactone belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. 3beta-chlorodehydrocostuslactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3beta-chlorodehydrocostuslactone can be found in sweet bay, which makes 3beta-chlorodehydrocostuslactone a potential biomarker for the consumption of this food product.
Peucedanol
(+)-Peusedanol is a natural product found in Prangos tschimganica, Prangos uloptera, and other organisms with data available. 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy- is a natural product found in Ficus glumosa with data available. (+)-Peusedanol is a coumarin isolated from Peucedanumjaponicum[1].
2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-
6-Acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dihydrobenzofuran
(2E)-3-(4-O-acetyl-3-methoxyphenyl)prop-2-en-1-yl acetate|1-acetoxy-4-(3-acetoxy-trans-propenyl)-2-methoxy-benzene|1-Acetoxy-4-(3-acetoxy-trans-propenyl)-2-methoxy-benzol|trans-coniferyl alcohol diacetate
methyl (Z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxo-4-hexenoate|orirubenone F
5-Acetyl-2-(1-hydroxy-1-methylethyl)-4-methoxybenzofuran-6-ol
methyl (S)-2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propanoate|Methyl-2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propanoate
3-Hydroxy-7-<4-hydroxy-isopentyloxy>-coumarin|7-O-(4-Hydroxy-3-methylbutyl)- 3,7-Dihydroxy-2H-1-benzopyran-2-one
7-(3-Methyl-2,3-dihydroxybutyloxy)-2H-1-benzopyran-2-one
(R)-4-O-beta-D-glucopyranosyl-4-hydroxy-2-pentanone
2t,4t-Undecadien-8,10-diinsaeure-4,6-heptadiinylester|4,6-Heptadiynyl ester-(2E,4E)-2,4-Undecadiene-8,10-diynoic acid
O1-((Xi)-1-methyl-butyl)-beta-D-glucopyranuronic acid|O1-((Xi)-1-Methyl-butyl)-beta-D-glucopyranuronsaeure
8-hydroxy-7-(4-hydroxy-2-methyl-butoxy)-chromen-2-one|Armin
1-(5-methoxy-4-oxo-prenyl)-resacetophenone|1-<5-methoxy-4-oxo-prenyl>-resacetophenone
(E,E)-5-(4-methoxy-3-methyl-2-oxo-2H-pyran-6-yl)-3-methylhexa-2,4-dienoic acid|infectopyrone
7-hydroxy-8-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|armenin
7-hydroxy-8-(2-hydroxy-2-isopropoxy-ethyl)-chromen-2-one|Calcicolin
(5R*, 6R*, 7R*, 8R*, 3Z)-6, 7-dihydroxy-5-methoxy-8-phenyl-5,6,7,8-tetrahydrooxacin-2-one|(5R*,6R*,7R*,8R*,3Z)-6,7-dihydroxy-5-methoxy-8-phenyl-5,6,7,8-tetrahydrooxacin-2-one|gonioheptenolactone
4-Oxo-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-3-carbaldehyde
2-(4-methoxyphenyl)-5-((E)-1-propenyl)benzofuran|2-(4-methoxyphenyl)-5-(E)-propenylbenzofuran|rataniaphenol I
13-Methyl-13,14,15,16-tetrahydro-12H-cyclopenta[a]phenanthrene-11,17-dione
methyl 7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromene-8-carboxylate
(E)-4-[3-methyl-5-(prop-1-enyl)benzo[b]furan-2-yl]phenol|4-[3-methyl-5-((E)-1-propenyl)-2-benzofuranyl]phenol|4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol|Eupomatenoid 6|eupomatenoid-6|rataniaphenol II
((R)-9-methanesulfinyl-nonyl)-thiourea|((R)-9-Methansulfinyl-nonyl)-thioharnstoff|(R)-1-(9-Methylsulfinylnonyl)-thioharnstoff|N-[9-(omega-Methylsulfinyl)-nonyl]-thioharnstoff
C11H24N2OS2 (264.13299739999997)
3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl)acetate
6,7-Dimethoxybenzofuran-5-propionic acid methyl ester
6-(beta-hydroxypropionyl)-1,3-dimethyllumazine|6-beta-hydroxypropionyl-1,3-dimethyllumazine
5-hydroxymethyl-7-methoxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-methoxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid
5,7a-dihydro-4-methoxy-5-(3-phenyl-2-propenylidene) benzofuran
Dehydrojuncusol
Dehydrojuncusol is a natural product found in Juncus effusus, Juncus acutus, and Juncus roemerianus with data available.
4,7,8-trimethoxy-3,5-dimethylchromen-2-one
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one
Phenylacetylglutamine
Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based: Match]
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000846888]
4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based on: CCMSLIB00000845769]
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside
Butanedioic acid,2-oxo-3-phenyl-, 1,4-diethyl ester
4-BORONO-2-(CYCLOHEXYLOXY)BENZOIC ACID
C13H17BO5 (264.11689820000004)
3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine(SALTDATA: FREE)
2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
4-CHLORO-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER
tert-butyl 3-(4-methoxyphenyl)-2,3-dioxopropanoate
Ethyl 2,3-dihydro-5,6-dimethoxy-1-oxo-1H-indene-2-carboxylic ester
thialbarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
(2S,4S)-1-CBZ-4-AMINO PYRROLIDINE-2-CARBOXYLIC ACID
5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID
6-Methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
6-Methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
4-(pyridin-2-ylmethylamino)quinazoline-6-carbaldehyde
4-(pyridin-3-ylmethylamino)quinazoline-6-carbaldehyde
2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
(S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid
ETHYL 1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
TERT-BUTYL 6-AMINO-1,4-THIAZEPANE-4-CARBOXYLATE 1,1-DIOXIDE
2-methyl-5-nitro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H17BN2O4 (264.12813120000004)
6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
Ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetate
C13H13FN2O3 (264.09101599999997)
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
4-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)PIPERIDINE HYDROCHLORIDE
(3-NITRO-5-(PYRROLIDINE-1-CARBONYL)PHENYL)BORONIC ACID
3-AMINO-5-NITROBENZENEBORONIC ACID PINACOL ESTER
C12H17BN2O4 (264.12813120000004)
METHYL 2,3-ANHYDRO-4,6-O-BENZYLIDENE-α-D-ALLOPYRANOSIDE
Propanedioic acid,2-(2-phenylhydrazinylidene)-, 1,3-diethyl ester
8-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
5-([1,1-BIPHENYL]-4-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-{2-[(2R,5R)-2,5-dimethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97
1,1-Dimethyl(2H8)-4,4-bipyridinium dichloride
C12H6Cl2D8N2 (264.10361582400003)
4-Phenylmethoxycarbonyl-2-piperazinecarboxylic acid hydrochloride
1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid
N-(PIPERIDIN-4-YL)QUINOXALIN-2-AMINE HYDROCHLORIDE
7-FLUORO-5-((TETRAHYDRO-2H-PYRAN-4-YL)OXY)QUINAZOLIN-4(3H)-ONE
C13H13FN2O3 (264.09101599999997)
2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile
2-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]BUTANOIC ACID
1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
C13H20N2O2Si (264.12939800000004)
Methyl 2-hydroxy-5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxyla te
(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
4-(2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YL)-PHENOL
2-PYRIDIN-2-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
(1R,2R)-Cyclohexane-1,2-diamine (2S,3S)-2,3-dihydroxysuccinate
1-[4-(3-amino-4-nitrophenyl)piperazin-1-yl]ethanone
C12H16N4O3 (264.12223459999996)
2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide hydrochloride
2-(4-FLUOROPHENYL)-4,5-DIHYDRO-2H-BENZO[G]INDAZOLE
1-Naphthaleneacetamide,N-(2-aminoethyl)-, hydrochloride (1:1)
TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE
2-(4-HYDROXY-BENZYLIDENE)-MALONIC ACID DIETHYL ESTER
diftalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXAZOCINE-5-CARBONITRILE
2-(1-(4-CHLOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
8-METHYL-2-PYRIDIN-2-YL-QUINOLINE-4-CARBOXYLIC ACID
(R)-4-(Benzyloxycarbonyl)piperazine-2-carboxylic acid
diethyl 2-[(pyridin-2-ylamino)methylidene]propanedioate
Iprazochrome
C12H16N4O3 (264.12223459999996)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
(Z)-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)methylene)indolin-2-one
WARFARIN RELATED COMPOUND A (50 MG) (3-(O-HYDROXYPHENYL)-5-PHENYL-2-CYCLOHEXEN-1-ONE)
2-{2-[(2S,5S)-2,5-dimethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97
(2-HYDROXYIMINO-2-PHENYL-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER
thiopental sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
a-D-Mannopyranoside, methyl2,3-anhydro-4,6-O-(phenylmethylene)-
5-Acetyl-2-fluorobenzeneboronic acid pinacol ester
(1-(Tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid
C9H12BF3N2O3 (264.08930280000004)
(E)Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
4-amino-3-nitrophenylboronic acid, pinacol ester
C12H17BN2O4 (264.12813120000004)
2-PYRIDIN-4-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
ETHYL 4-(DIETHOXYPHOSPHORYL)-3-METHYLBUT-2-ENOATE
C11H21O5P (264.11265460000004)
1-(4-FLUOROPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
(S)-1-((BENZYLOXY)CARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
Ulodesine
C12H16N4O3 (264.12223459999996)
C471 - Enzyme Inhibitor > C2151 - Purine Nucleoside Phosphorylase Inhibitor
2-[(Cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Ibuprofen sodium dihydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholinecarboxamide
ethyl 2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate
2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one
1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide
Perlolyrine
2-[[(2R)-2-amino-3-(4-hydroxy-3-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
2-[[(2R)-2-amino-3-(1-hydroxypentan-3-ylsulfanyl)propanoyl]amino]acetic acid
S-(4-hydroxy-3-methylbutan-2-yl)-L-cysteinylglycine
4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
2-Oxo-6-phenyl-4-(4-hydroxyphenyl)-1,2-dihydropyrimidine
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-nitroaniline
5,7-Dimethylspiro[cyclohexane-1,3-pyrimido[5,4-c][1,2,5]oxadiazine]-6,8-dione
C12H16N4O3 (264.12223459999996)
4-(tert-Butoxycarbonyl-hydrazonomethyl)-benzoic acid
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside
N-[(4-ethylphenyl)carbamothioyl]-3-methylbutanamide
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
2-(4-Methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole
(3R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentanoic acid
(3S,4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentanoic acid
N,N-dihydroxyhexahomomethioninate
Conjugate base of N,N-dihydroxyhexahomomethionine.
8-(5-Hydroxypentyl)-7-methyllumazine
C12H16N4O3 (264.12223459999996)
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
5-Hydroxycotinine, TMS derivative
C13H20N2O2Si (264.12939800000004)
1-Acetoxyeugenol acetate
An acetate ester that is eugenol acetate substituted by an acetoxy group at position 1.
rataniaphenol II
A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
N(2)-phenylacetyl-L-glutamine
An a N(2)-phenylacetylglutamine having L-configuration.
MN-64
MN-64 is a potent tankyrase 1 inhibitor, with IC50s of 6 nM, 72 nM, 19.1 μM, and 39.4 μM for TNKS1, TNKS2, ARTD1 and ARTD2, respectively.
2-[(4-hydroxy-2-methylbut-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4,5,8-trihydroxy-6-methyl-7-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-one
13-methoxy-3-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
8-[(2s)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
6-(3-methyl-6-phenylhexa-1,3,5-trien-1-yl)pyran-2-one
(2r)-2-{2-[(2e)-3-methoxy-5-oxofuran-2-ylidene]propyl}-2,4-dimethylfuran-3-one
(5-{5h-pyrido[4,3-b]indol-1-yl}furan-2-yl)methanol
6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxy-7-methylisochromen-1-one
(5z)-4-methoxy-5-[(2e)-3-phenylprop-2-en-1-ylidene]-7ah-1-benzofuran
(9-{[thio(carbonoimidyl)]amino}nonanesulfinyl)methane
C11H24N2OS2 (264.13299739999997)
1-[(2s)-4,7-dihydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(5e,7as)-4-methoxy-5-[(2e)-3-phenylprop-2-en-1-ylidene]-7ah-1-benzofuran
4-(3-acetyl-2,6-dihydroxyphenyl)-2-(methoxymethyl)but-2-enal
(11z)-11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
1-[(2r)-7-hydroxy-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
10-(2-chloroethyl)-5,5,9-trimethyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),7(11),8-trien-2-one
5-(tetradeca-2,4,6-trien-8,10-diyn-1-ylidene)furan-2-one
1-[5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-3-methoxy-2,3-dihydro-1-benzofuran-6-yl]ethanone
12-deoxydanshenxinkun b
{"Ingredient_id": "HBIN000779","Ingredient_name": "12-deoxydanshenxinkun b","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5164","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,4-Di(p-tolyl)-trans-2-buten-1,4-dione
{"Ingredient_id": "HBIN001450","Ingredient_name": "1,4-Di(p-tolyl)-trans-2-buten-1,4-dione","Alias": "SMR000348978; NSC29008; 6N-770; ZINC00455623; (E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione; Bionet2_000363; 5465-41-8; (2E)-1,4-Bis(4-methylphenyl)-2-butene-1,4-dione; 1,4-bis(4-methylphenyl)but-2-ene-1,4-dione; MLS001005669","Ingredient_formula": "C18H16O2","Ingredient_Smile": "CC1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=C(C=C2)C","Ingredient_weight": "264.32","OB_score": "39.89973397","CAS_id": "5465-41-8","SymMap_id": "SMIT10337","TCMID_id": "NA","TCMSP_id": "MOL009173","TCM_ID_id": "NA","PubChem_id": "883995","DrugBank_id": "NA"}
2,7-dihydroxy-1,6-dimethylpyrene
{"Ingredient_id": "HBIN005005","Ingredient_name": "2,7-dihydroxy-1,6-dimethylpyrene","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "CC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)C=C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5860","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-isopropyl-8-methyl-3,4-phenanthraquinone
{"Ingredient_id": "HBIN005859","Ingredient_name": "2-isopropyl-8-methyl-3,4-phenanthraquinone","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "NA","Ingredient_weight": "264.32","OB_score": "NA","CAS_id": "87112-49-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8597","PubChem_id": "NA","DrugBank_id": "NA"}
2-isopropyl-8-methylphenanthrene-3,4-dione(r0-090680)
{"Ingredient_id": "HBIN005861","Ingredient_name": "2-isopropyl-8-methylphenanthrene-3,4-dione(r0-090680)","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C(=C3)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16071","TCMID_id": "11626","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-hydroxy-coumarin
{"Ingredient_id": "HBIN012013","Ingredient_name": "6-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-hydroxy-coumarin","Alias": "6-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one; 6-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-chromenone; 6-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-hydroxy-chromen-2-one","Ingredient_formula": "C14H16O5","Ingredient_Smile": "NA","Ingredient_weight": "264.27","OB_score": "38.1320365","CAS_id": "20126-72-1","SymMap_id": "SMIT13796","TCMID_id": "NA","TCMSP_id": "MOL013099","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dih ydrobenzofuran
{"Ingredient_id": "HBIN012163","Ingredient_name": "6-acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dih ydrobenzofuran","Alias": "NA","Ingredient_formula": "C14H16O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (4e)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate
9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
methyl (2r)-2-[(2s)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propanoate
(3r,4r)-4,8-dihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
(4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-one
n-[(1r)-1-{4-[(1z,3e)-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl]ethanimidic acid
[(s)-9-{[thio(carbonoimidyl)]amino}nonanesulfinyl]methane
C11H24N2OS2 (264.13299739999997)
(2e)-4-(3-acetyl-2,6-dihydroxyphenyl)-2-(methoxymethyl)but-2-enal
(2e)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-en-1-yl acetate
methyl (4z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate
1-[7-hydroxy-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
2-(4-methoxyphenyl)-5-[(1e)-prop-1-en-1-yl]-1-benzofuran
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-one
(1s,5s,6r)-1-[(2e,4e)-hexa-2,4-dienoyl]-4,5-dihydroxy-3,5-dimethyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
(2-{9h-pyrido[3,4-b]indol-1-yl}furan-3-yl)methanol
(3r,13e,15z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-ol
3-(2-hydroxyethyl)-4-[(3-hydroxypropyl)amino]-1h-indole-6,7-dione
4,8-dihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
2-(4-methoxyphenyl)-5-(prop-1-en-1-yl)-1-benzofuran
methyl 6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate
8-chloro-3,6,9-trimethylidene-octahydroazuleno[4,5-b]furan-2-one
7,8-dihydroxy-5,11,11-trimethyl-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-3-one
2-[2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one
(5r)-7,8-dihydroxy-5,11,11-trimethyl-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-3-one
2,7-dihydroxy-5-methyl-2-(2-oxobutyl)-3h-1-benzopyran-4-one
(1s,3s,4r,6r,8s,9s,11r,12r)-8,11-dihydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecan-7-one
1-hydroxy-1-[(2z)-8-methylundec-2-en-6-yl]-1λ⁶-disulfen-1-one
7-[(2r)-2,3-dihydroxy-3-methylbutoxy]chromen-2-one
(8-methoxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl)methyl acetate
6-(hexa-2,4-dienoyl)-2,5-dihydroxy-2,4-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
5,6-dihydroxy-2-(1-hydroxyhexa-2,4-dien-1-ylidene)-4,6-dimethylcyclohex-4-ene-1,3-dione
3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-en-1-yl acetate
(4s)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
7-hydroxy-8-[(3s)-4-hydroxy-3-methylbutoxy]chromen-2-one
6-(3-hydroxypropanoyl)-1,3-dimethylpteridine-2,4-dione
(4s)-10-(2-chloroethyl)-5,5,9-trimethyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),7(11),8-trien-2-one
6-hydroxy-3-(2-hydroxypropyl)-8-methoxy-7-methylisochromen-1-one
5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyfuran-2-one
1-hydroxy-1-[(2z,6r,8s)-8-methylundec-2-en-6-yl]-1λ⁶-disulfen-1-one
8,11-dihydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecan-7-one
1-[(2s,3s)-5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-3-methoxy-2,3-dihydro-1-benzofuran-6-yl]ethanone
7-(hydroxymethyl)-1,3-dimethoxy-hexahydro-1h-cyclopenta[c]pyran-5,6,7-triol
8-methoxy-10-methyl-10,15-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
(3s,13e,15z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-ol
2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione
(2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
4-[3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol
(2r)-2-{2-[(2z)-3-methoxy-5-oxofuran-2-ylidene]propyl}-2,4-dimethylfuran-3-one
5-(hydroxymethyl)-7-methoxy-2,2-dimethylchromene-6-carboxylic acid
6-[(1e,3e,5e)-3-methyl-6-phenylhexa-1,3,5-trien-1-yl]pyran-2-one
(5z)-5-[(2e,4e,6e)-tetradeca-2,4,6-trien-8,10-diyn-1-ylidene]furan-2-one
5-(2-hydroxyethyl)-2,6-dimethyl-4,7-dioxo-1,3-dihydroindene-2-carboxylic acid
1-[4,7-dihydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(2r,3r,4s,5s,6r)-2-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,6e)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
3-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propyl acetate
n-[2-(methoxycarbonyl)phenyl]-2-methylbutanediimidic acid
n-{1-[4-(5-oxohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]ethyl}ethanimidic acid
(2e,4z)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid
7-(1-hydroxyethyl)-6-methoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
1-hydroxy-1-(8-methylundec-2-en-6-yl)-1λ⁶-disulfen-1-one
2-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-1-benzofuran-5-yl]ethanone
4-methoxy-5-(3-phenylprop-2-en-1-ylidene)-7ah-1-benzofuran
methyl 2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)propanoate
methyl 3-(6,7-dimethoxy-1-benzofuran-5-yl)propanoate
4-(3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl)-2-(2-methylprop-1-en-1-yl)-1,3-oxazin-6-one
3-hydroxy-7-(4-hydroxy-3-methylbutoxy)chromen-2-one
(2r,3r,4s,5s,6r)-2-{[(2z)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[3-methyl-5-(prop-2-en-1-yl)-1-benzofuran-2-yl]phenol
2-hydroxy-6-(3-methoxypropanoyl)-3-methylpteridin-4-one
(4r)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
n-(1-{4-[(3e)-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl)ethanimidic acid
(5s)-7,8-dihydroxy-5,11,11-trimethyl-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-3-one
(1r,9r,10r)-4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-one
7-[(1r)-1-hydroxyethyl]-6-methoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
n-[(1r)-1-{4-[(1e,3e)-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl]ethanimidic acid
(2e,4e)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid
5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid
hepta-4,6-diyn-1-yl (2e,4e)-undeca-2,4-dien-8,10-diynoate
(3s,13z,15z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-ol
(5s)-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyfuran-2-one
(2r)-2-hydroxy-2-[6-(methylsulfanyl)hexyl]butanedioic acid
C11H20O5S (264.10313900000006)