Exact Mass: 356.0397656
Exact Mass Matches: 356.0397656
Found 359 metabolites which its exact mass value is equals to given mass value 356.0397656
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulindac
Sulindac is a nonsteroidal anti-inflammatory agent (NSAIA) of the arylalkanoic acid class that is marketed in the U.S. by Merck as Clinoril. Like other NSAIAs, it may be used in the treatment of acute or chronic inflammatory conditions. Sulindac is a prodrug, derived from sulfinylindene, that is converted in vivo to an active sulfide compound by liver enzymes. The sulfide metabolite then undergoes enterohepatic circulation; it is excreted in the bile and then reabsorbed from the intestine. This is thought to help maintain constant blood levels with reduced gastrointestinal side effects. Some studies have shown sulindac to be relatively less irritating to the stomach than other NSAIAs except for drugs of the cyclooxygenase-2 (COX-2) inhibitor class. The exact mechanism of its NSAIA properties is unknown, but it is thought to act on enzymes COX-1 and COX-2, inhibiting prostaglandin synthesis. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents KEIO_ID S054; [MS2] KO009077 KEIO_ID S054; [MS3] KO009079 D004791 - Enzyme Inhibitors KEIO_ID S054
5-Amino-6-(5'-phosphoribitylamino)uracil
C9H17N4O9P (356.07331220000003)
5-Amino-6-(5-phosphoribitylamino)uracil belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 5-Amino-6-(5-phosphoribitylamino)uracil is an extremely weak basic (essentially neutral) compound (based on its pKa). 5-Amino-6-(5-phosphoribitylamino)uracil has been detected, but not quantified in, several different foods, such as sapodilla, kumquats, sacred lotus, Persian limes, and Cascade huckleberries. This could make 5-amino-6-(5-phosphoribitylamino)uracil a potential biomarker for the consumption of these foods. 5-Amino-6-(5-phosphoribitylamino)uracil is an intermediate in riboflavin metabolism. 5-Amino-6-(5-phosphoribitylamino)uracil is the third to last step in the synthesis of 7-hydroxy-6-methyl-8-ribityl lumazine and is converted from 5-amino-6-(5-phosphoribosylamino)uracil via the enzyme 5-amino-6-(5-phosphoribosylamino)uracil reductase (EC 1.1.1.193). It is then converted into 4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine via a hydrolase enzyme (EC 3.1.3.- ). 5-amino-6-(5-phospho-d-ribitylamino)uracil is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 5-amino-6-(5-phospho-d-ribitylamino)uracil is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-amino-6-(5-phospho-d-ribitylamino)uracil can be found in a number of food items such as star fruit, chinese cabbage, mamey sapote, and sapodilla, which makes 5-amino-6-(5-phospho-d-ribitylamino)uracil a potential biomarker for the consumption of these food products. 5-amino-6-(5-phospho-d-ribitylamino)uracil exists in E.coli (prokaryote) and yeast (eukaryote).
IAA-94
C17H18Cl2O4 (356.05820880000005)
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Y 23684
C18H13ClN2O2S (356.03862280000004)
Penicillin g sodium
C16H17N2NaO4S (356.08066820000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
(+)-Chebulic acid
(+)-Chebulic acid is found in fruits. (+)-Chebulic acid is isolated from Phyllanthus emblica (emblic). Isolated from Phyllanthus emblica (emblic). (+)-Chebulic acid is found in fruits.
Xerocomic acid
Xerocomic acid is found in mushrooms. Xerocomic acid is isolated from Boletus erythropus (dotted-stem bolete) and Gomphidius glutinosus (spike cap
Grevilline C
Grevilline C is found in mushrooms. Grevilline C is a pigment from Suillus grevillei (larch bolete). Pigment from Suillus grevillei (larch bolete). Grevilline C is found in mushrooms.
Grevilline D
Grevilline D is found in mushrooms. Grevilline D is a pigment from Suillus grevillei (larch bolete). Pigment from Suillus grevillei (larch bolete). Grevilline D is found in mushrooms.
Dihydrohydroxy-O-methylsterigmatocystin
Dihydrohydroxy-O-methylsterigmatocystin is a mycotoxin produced by Aspergillus parasiticus. Mycotoxin production by Aspergillus parasiticus.
Caffeic acid 3-O-glucuronide
Caffeic acid 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Caffeic acid 4-O-glucuronide
Caffeic acid 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Caffeoyl C1-glucuronide
Caffeoyl C1-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Diphenylmercury
Diphenylmercury belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
3,5-Dihydroxycinnamic acid glucuronide
2-[6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid
Azothoate
C14H14ClN2O3PS (356.01512540000004)
Bisdethiobis(methylthio)gliotoxin
C15H20N2O4S2 (356.08644400000003)
(S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid
C17H18Cl2O4 (356.05820880000005)
6-Formylisoophiopogonanone A
Butyrolactone II
Komodoquinone B
A member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium Streptomyces sp. KS3.
Dihydrohydroxy-O-methylsterigmatocystin
Demethyltorosaflavone D
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
2-{3-Phenyl-3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)thio]prop-2-enylidene}malononitrile
C19H12N6S (356.08441120000003)
O1-(4-Chlorobenzoyl)-2-[(2-furylmethyl)sulfonyl]ethanehydroximamide
Ethyl 2-{[2-cyano-3-(4-hydroxyphenyl)acryloyl]amino}-4-methylthiophene-3-carboxylate
C18H16N2O4S (356.08307360000003)
Bis(methylthio)gliotoxin(fr-49175)
C15H20N2O4S2 (356.08644400000003)
Coumaroyl + C6H9O8 (isomer of 844, 845, 846)
Annotation level-3
Erioside
Erioside is a natural product found in Morus alba and Lasiosiphon glaucus with data available.
1-(2,5-Dihydroxy-4-bromophenyl)-3-hydroxy-3,7-dimethyl-6-octene-1-one
C16H21BrO4 (356.06231260000004)
3,3-dihydroxy-6-O-desmethylterphenyllin
A para-terphenyl that is 6-O-desmethylterphenyllin substituted by additional hydroxy groups at positions 3 and 3. Isolated from Penicillium chermesinum, it exhibits inhibitory activity against alpha-glucosidase.
8-hydroxy-3,4-dimeth-oxy-1-methyl-anthraquinone-2-carboxylic acid methyl ester
1-butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione
2,2,2-Trifluorethoxy-methylpenicillin
C12H15F3N2O5S (356.06537360000004)
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2,3-naphthalenedicarboxylic acid
demethoxyisodaphnneticin|trans-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one
2,3,3a,12c-Tetrahydro-3,11-dihydroxy-6-methoxy-3-methyl-7H-furo[2,3:4,5]furo[2,3-c]xanthen-7-one,|psorofebrin
(7E,9R,10R,13E,15Z)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid|xestospongienol K
C16H21BrO4 (356.06231260000004)
Diplotasin
A hydroxyhomoflavonoid that is isochromeno[4,3-b]chromen-7(5H)-one substituted by a hydroxy group at position 4 and methoxy groups at positions 3, 10 and 11. It has been isolated from Mimosa diplotricha.
1,3,6-Trihydroxy-5-methoxy-7-(2-oxo-3-methyl-3-butenyl)-9H-xanthene-9-one
9-(toluene-4-sulfonyloxy)-furo[3,2-g]chromen-7-one
5,7-Dihydroxy-3-(4-hydroxy-1,3-benzodioxole-5-ylmethyl)-6,8-dimethyl-4H-1-benzopyran-4-one
terephthalic acid mono-[2-(4-carboxy-phenoxycarbonyl)-vinyl] ester
2-butanoyl-3,6,8-trihydroxy-1,4-naphthoquinone 6-O-sulfate
9,10-Dihydro-7-hydroxy-3,8-dimethoxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
6-formyl-isoophiopogonanone A
Chebulic_acid
Chebulic acid is a natural product found in Terminalia chebula, Terminalia citrina, and Phyllanthus emblica with data available. Chebulic acid, a phenolcarboxylic acid compound isolated from Terminalia chebula, has potent anti-oxidant activity, which breaks the cross-links of proteins induced by advanced glycation end-products (AGEs) and inhibits the formation of AGEs. Chebulic acid is effective in controlling elevated metabolic parameters, oxidative stress and renal damage, supporting its beneficial effect in diabetic nephropathy[1][2]. Chebulic acid, a phenolcarboxylic acid compound isolated from Terminalia chebula, has potent anti-oxidant activity, which breaks the cross-links of proteins induced by advanced glycation end-products (AGEs) and inhibits the formation of AGEs. Chebulic acid is effective in controlling elevated metabolic parameters, oxidative stress and renal damage, supporting its beneficial effect in diabetic nephropathy[1][2].
methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate
7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
C15H20N2O4S2_Pyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3R,5aS,6S,10aR)
C15H20N2O4S2 (356.08644400000003)
7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Bisdethiobis(methylthio)gliotoxin
C15H20N2O4S2 (356.08644400000003)
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate
Sulindac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Coumaroyl + C6H9O8 (isomer of 843, 844, 846)
Annotation level-3
Coumaroyl + C6H9O8 (isomer of 843, 845, 846)
Annotation level-3
Coumaroyl + C6H9O8 (isomer of 843, 844, 845)
Annotation level-3
7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based on: CCMSLIB00000848673]
7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based: Match]
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-g]chromen-7-one
bisdethiobis(methylthio)gliotoxin_major
C15H20N2O4S2 (356.08644400000003)
methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate_major
Thr-Asp-OH
C14H16N2O9 (356.08557659999997)
Xerocomic acid
Grevilline D
Grevilline C
(+)-Chebulic acid
Caffeic acid 3-O-glucuronide
Caffeic acid 4-O-glucuronide
Caffeoyl C1-glucuronide
7,9-Dimethoxy-6-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-8-one
3-(4-Bromobenzyl)-2-butyl-4-chloro-1H-imidazol-5-ylmethanol
4-(6-Bromo-pyridin-2-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
1-(4-Sulfamoylphenyl)-1,6-dihydropyrazolo[3,4-e]indazole-3-carbox amide
C15H12N6O3S (356.06915620000007)
6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile
N-[[4-[5-methyl-3-phenylisoxazol-4-yl]phenyl]sulfonyl]acetamide
C18H16N2O4S (356.08307360000003)
fletazepam
C17H13ClF4N2 (356.07033359999997)
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1,3-adamantanediacetyl dichloride
C14H16Cl4O2 (355.99043559999996)
2,6-Bis(methylthio)-3,5-diphenyl-4H-thiopyran-4-one
2-[(1,3-dioxoisoindol-2-yl)disulfanyl]isoindole-1,3-dione
[(3,5,6-trichloro-2-pyridyl)oxy]acetic acid, compound with triethylamine (1:1)
C13H19Cl3N2O3 (356.04611940000007)
5-(6-CHLORO-3-PYRIDYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Pyridine, 3-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(phenylmethoxy)-
5-(CHLOROMETHYL)-3-[3,5-DI(TRIFLUOROMETHYL)STYRYL]-1,2,4-OXADIAZOLE
5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
C16H12N4S3 (356.02240720000003)
sodium bis(2-hydroxyethyl) 5-sulphonatoisophthalate
C12H13NaO9S (356.01779680000004)
Sulfabrom
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
1-CYCLOPROPYL-5-NITRO-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3- QUINOLINECARBOXYLIC ACID ETHYL ESTER
5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
2-[5-iodo-3-(phenylmethoxymethyl)imidazol-4-yl]acetaldehyde
PENTAMETHYL CYCLOPENTADIENE-1,2,3,4,5-PENTACARBOXYLATE
Acetic acid,2-mercapto-, 1,1-[2-ethyl-2-[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl]ester
C12H20O6S3 (356.04219800000004)
AICAR phosphate
C9H17N4O9P (356.07331220000003)
AICAR phosphate (Acadesine phosphate) is an adenosine analog and a AMPK activator. AICAR phosphate regulates the glucose and lipid metabolism, and inhibits proinflammatory cytokines and iNOS production. AICAR phosphate is also an autophagy, YAP and mitophagy inhibitor[1][2]. AICAR phosphate (Acadesine phosphate) is an adenosine analog and a AMPK activator. AICAR phosphate regulates the glucose and lipid metabolism, and inhibits proinflammatory cytokines and iNOS production. AICAR phosphate is also an autophagy, YAP and mitophagy inhibitor[1][2]. AICAR phosphate (Acadesine phosphate) is an adenosine analog and a AMPK activator. AICAR phosphate regulates the glucose and lipid metabolism, and inhibits proinflammatory cytokines and iNOS production. AICAR phosphate is also an autophagy, YAP and mitophagy inhibitor[1][2].
(S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
MANGANESE, CHLORO[[2,2-[1,2-ETHANEDIYLBIS[(NITRILO-KN)METHYLIDYNE]]BIS[PHENOLATO-KO]](2-)]-, (SP-5-13)-
Chlorisondamine
C14H20Cl4N2+2 (356.03805200000005)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005730 - Ganglionic Blockers D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
C17H16N4OS2 (356.07654859999997)
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
C18H16N2O4S (356.08307360000003)
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-1,3-thiazol-4-one
C18H16N2O4S (356.08307360000003)
(2S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
{1-[(3-Hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid
D-pantetheine 4-phosphate(2-)
C11H21N2O7PS-2 (356.08070460000005)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(4-(4-Hydroxyphenoxy)-3-iodophenyl)ethanaminium chloride
(3S,7R)-11-methoxy-3,7-dimethyl-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
4-(3,4-Dihydroxyphenyl)-6-(3,4-dihydroxybenzylidene)-3-hydroxy-2H-pyran-2,5(6H)-dione
4-(2,5-Dihydroxyphenyl)-6-(3,4-dihydroxybenzylidene)-3-hydroxy-2,5(6H)-pyrandione
Methyl (2s)-4-Hydroxy-3-(4-Hydroxyphenyl)-2-[(4-Hydroxyphenyl)methyl]-5-Oxo-2,5-Dihydrofuran-2-Carboxylate
2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester
C18H16N2O4S (356.08307360000003)
7-[[[1-(2-Methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
2-[(7-Chloro-4-quinazolinyl)oxy]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
C18H13ClN2O4 (356.05638080000006)
2-(1-Benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole
C17H13ClN4OS (356.04985580000005)
methyl 4-{[2-(methylsulfanyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]carbonyl}phenyl ether
C18H16N2O4S (356.08307360000003)
4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid
C18H16N2O4S (356.08307360000003)
5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
C18H16N2O4S (356.08307360000003)
3-[3-(2,4-Dichlorophenoxy)propoxy]-6-methyl-2-nitropyridine
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
[3-[4-Morpholinyl(sulfanylidene)methyl]-1-indolyl]-thiophen-2-ylmethanone
C18H16N2O2S2 (356.06531559999996)
1-[4-(3-Chloro-2,4,6-trifluorophenyl)sulfonyl-1-piperazinyl]ethanone
2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
A guaiacyl lignin obtained by formal cyclocodensation between guaiacylglycerol and esculetin. It is found in Arabidopsis thaliana.
3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide
2-(1,3-Benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine
5-(4-Methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
5-(2-Methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
5-(3-Methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
11-hydroxy-O-methyldihydrosterigmatocystin
A sterigmatocystin that is the 11-hydroxy-8-O-methyl derivative of dihydrosterigmatocystin.
[3-[2-Hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulate
[3-Hydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] hydrogen sulate
5-Amino-6-(5-phospho-D-ribitylamino)uracil
C9H17N4O9P (356.07331220000003)
5-O-Phosphono-D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminopyrimidine-2,4(1H,3H)-dione.
D-pantetheine 4-phosphate(2-)
C11H21N2O7PS (356.08070460000005)
Pantetheine 4-phosphate(2-) with D (R) configuration at the 2 position. The dianion formed from D-pantetheine 4-phosphate by deprotonation of the phosphate group; major microspecies at pH 7.3.
alpha-Ribazole 5-phosphate(2-)
C14H17N2O7P (356.07733420000005)
Dianion of alpha-ribazole 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Desformylflustrabromine hydrochloride
C16H22BrClN2 (356.06547820000003)
Desformylflustrabromine hydrochloride is a selective agonist of α4β2 neuronal nicotinic acetylcholine receptor (nAChR) with a pEC50 of 6.48.
Encenicline hydrochloride
C16H18Cl2N2OS (356.05168380000003)
Encenicline hydrochloride (EVP-6124 hydrochloride) is a novel partial agonist of α7 neuronal nicotinic acetylcholine receptors (nAChRs).
(2r,3r)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2r)-1,4-bis(2h-1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione
1-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2,3-dicarboxylic acid
(6z)-4-(3,4-dihydroxyphenyl)-6-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxypyran-2,5-dione
6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
C15H20N2O4S2 (356.08644400000003)
10-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-5-methoxy-1h,2h-furo[2,3-c]xanthen-6-one
1,6,8,10,11-pentahydroxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
6,8-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
5,7-dihydroxy-4-(hydroxymethyl)-10-methoxy-1h-anthra[1,2-c]furan-3,6,11-trione
5,18-dihydroxy-7,12-dimethyl-9,16-dioxo-2,10,15-trioxatetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-1(18),3(8),4,6,11,13(17)-hexaene-4-carbaldehyde
4-bromo-n-{3-[(4r)-2-hydroxy-1-methyl-5-oxo-4h-imidazol-4-yl]propyl}-1-methylpyrrole-2-carboxamide
C13H17BrN4O3 (356.04839519999996)
(8s,10s)-1,6,8,10,11-pentahydroxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
15-hydroxy-5,11-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
5,7-dihydroxy-3-[(4-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]-6,8-dimethylchromen-4-one
(3s)-3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-8-carbaldehyde
4-(6-bromo-1h-indol-3-yl)-5-hydroxy-3-(3h-imidazol-4-yl)pyrrol-2-one
2,6,16,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione
2'-hydroxymethylophiopogonone a
{"Ingredient_id": "HBIN005814","Ingredient_name": "2'-hydroxymethylophiopogonone a","Alias": "NA","Ingredient_formula": "C19H16O7","Ingredient_Smile": "CC1=C(C2=C(C(=C1O)C)OC=C(C2=O)CC3=C(C4=C(C=C3)OCO4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10508","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(9r,10s)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
(4s,6s,8s)-2,6,16,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione
(4ar,6r,12bs)-4a,6,8,12b-tetrahydroxy-3-methyl-5,6-dihydro-4h-tetraphene-1,7,12-trione
methyl 1,3-dihydroxy-2,5-bis(4-hydroxyphenyl)-4-oxocyclopent-2-ene-1-carboxylate
7,9,13-trihydroxy-5-methyl-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-4,12,14,16-tetraene-3,11,18-trione
7-bromo-6-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3h-1-benzopyran-4-one
C16H21BrO4 (356.06231260000004)
(7e,9r,10r,13e,15z)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
7,11-dihydroxy-6-methoxy-4,4-dimethyl-3h-1,5-dioxatetraphene-2,10-dione
(1r,9r,10r,14s)-3-bromo-10,12,14-trihydroxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one
C12H13BrN4O4 (356.01201180000004)
1-(4-bromo-2,5-dihydroxyphenyl)-3-hydroxy-3,7-dimethyloct-6-en-1-one
C16H21BrO4 (356.06231260000004)
(7e,9r,10s,13e,15z)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
3-[(2-acetyl-3,5-dihydroxyphenyl)methyl]-8-hydroxy-6-methoxyisochromen-1-one
4-({[3-(4-carboxyphenoxy)-3-oxoprop-1-en-1-yl]oxy}carbonyl)benzoic acid
(3r)-1-(4-bromo-2,5-dihydroxyphenyl)-3-hydroxy-3,7-dimethyloct-6-en-1-one
C16H21BrO4 (356.06231260000004)
2,5,16,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione
(4r,8r)-2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
8-acetyl-2-(3,4-dihydroxyphenyl)-6,7-dimethoxychromen-4-one
(1s,13r)-1-hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaen-24-one
(4s,5s,8s)-2,5,16,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione
3,5,13,14-tetramethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]prop-2-enoic acid
5,7-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
methyl 7-hydroxy-3,8-dimethoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
1,3,6,8-tetrahydroxy-2-[(3s)-2-oxooxolan-3-yl]anthracene-9,10-dione
4-bromo-n-[3-(2-hydroxy-1-methyl-5-oxo-4h-imidazol-4-yl)propyl]-1-methylpyrrole-2-carboxamide
C13H17BrN4O3 (356.04839519999996)
methyl 8-hydroxy-3,4-dimethoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
1-hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaen-24-one
(1r,2r,7s,9r,10s)-7,9,13-trihydroxy-5-methyl-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-4,12,14,16-tetraene-3,11,18-trione
4-(3,4-dihydroxyphenyl)-6-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxypyran-2,5-dione
1,6,7,8,11-pentahydroxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
(4e)-4-[(3,4-dihydroxyphenyl)methylidene]-2-(3-hydroxy-4-methylphenyl)-5-oxooxolane-3-carboxylic acid
5,7-dimethoxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
7,8-dimethoxy-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
(2r)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid
C13H17BrN4O3 (356.04839519999996)
(2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid
C13H17BrN4O3 (356.04839519999996)
2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-(3,4-dimethyl-5h-imidazol-4-yl)propanoic acid
C13H17BrN4O3 (356.04839519999996)
(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2r)-7-bromo-6-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3h-1-benzopyran-4-one
C16H21BrO4 (356.06231260000004)
6,8-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
{12-formyl-5h,11h-indolo[3,2-b]carbazol-6-yl}(oxo)acetic acid
C21H12N2O4 (356.07970320000004)
5-(3,5,8-trihydroxy-9,10-dioxoanthracen-1-yl)pentanoic acid
15-hydroxy-14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-one
3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]prop-2-enoic acid
4-({[(1e)-3-(4-carboxyphenoxy)-3-oxoprop-1-en-1-yl]oxy}carbonyl)benzoic acid
(3s,5s,7s)-15-hydroxy-5,11-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(2r)-2-[(3s,4s)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-4-yl]butanedioic acid
2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2s)-2-[(3r,4s)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-4-yl]butanedioic acid
3-(4,7-dimethoxy-2h-1,3-benzodioxol-5-yl)-7-methoxychromen-4-one
3-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-8-hydroxy-6-methoxyisochromen-1-one
11-hydroxy-2,3,9-trimethoxy-6h-5,7-dioxatetraphen-12-one
(9r,10r)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
2,4,15,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate
1-hydroxy-3,7,8-trimethoxy-10h-5,11-dioxatetraphen-12-one
(9s,10s)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-2,3-dihydro-1-benzopyran-6-carbaldehyde
(7e,9s,10s,13e,15z)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
2-chloro-1,4-dihydroxy-3-(4-methylpent-3-en-1-yl)anthracene-9,10-dione
C20H17ClO4 (356.08153120000003)
1-(4-bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyloct-2-en-1-one
C16H21BrO4 (356.06231260000004)
(7e,9s,10r,13e,15z)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
(3r,5as,6s,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
C15H20N2O4S2 (356.08644400000003)
(2s)-1,4-bis(2h-1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione
(9s,10r)-16-bromo-9,10-dihydroxyhexadeca-7,13,15-trien-5-ynoic acid
C16H21BrO4 (356.06231260000004)
7,8-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(3s,6r,7r)-6,18-dihydroxy-11-methoxy-6-methyl-4,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(3r)-3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-8-carbaldehyde
2-(2h-1,3-benzodioxol-5-yl)-5,7,8-trimethoxychromen-4-one
1,3,6,8-tetrahydroxy-2-(2-oxooxolan-3-yl)anthracene-9,10-dione
(2s,3s)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
6,7-dimethoxy-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
4-(3,4-dihydroxyphenyl)-3-methoxy-[1,1'-biphenyl]-2,3',4',6-tetrol
(2e)-1-(4-bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyloct-2-en-1-one
C16H21BrO4 (356.06231260000004)
(3s,5r,7s)-15-hydroxy-5,11-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(4r,5s,8r)-2,5,16,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione
5,12-dihydroxy-4-methoxy-16,16-dimethyl-2,9,15-trioxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(19),3(8),4,6,11,13,17-heptaen-10-one
6,7-dimethoxy-3-(4-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
(3r,5as,10ar)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
C15H20N2O4S2 (356.08644400000003)
(2s)-2-{[(4-bromopyrrol-2-ylidene)(hydroxy)methyl]amino}-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid
C13H17BrN4O3 (356.04839519999996)
(2e)-3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]prop-2-enoic acid
(3r,6ar,7s,10br)-7-hydroxy-3-(hydroxymethyl)-2-methyl-3,10b-bis(methylsulfanyl)-6h,6ah,7h-pyrazino[2,1-a]isoindole-1,4-dione
C15H20N2O4S2 (356.08644400000003)
(3s)-3-(2h-1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-2,3-dihydro-1-benzopyran-6-carbaldehyde
7,8-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(2r)-2-{[(4-bromopyrrol-2-ylidene)(hydroxy)methyl]amino}-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid
C13H17BrN4O3 (356.04839519999996)