Exact Mass: 356.0582
Exact Mass Matches: 356.0582
Found 457 metabolites which its exact mass value is equals to given mass value 356.0582
,
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
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
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
Penicillin g sodium
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
4-O-alpha-D-Glucopyranuronosyl-D-galactose
4-O-alpha-D-Galactopyranuronosyl-D-galactose is a constituent of Sterculia urens (karaya gum). Constituent of Sterculia urens (karaya gum)
(+)-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.
2-O-beta-D-Glucopyranuronosyl-D-mannose
Present as a structural unit in plant gums, e.g. damson (Prunus insitia), cherry (Prunus cerasus), Anogeissus lattifolia (gum ghatti). 2-O-beta-D-Glucopyranuronosyl-D-mannose is found in fruits. 2-O-beta-D-Glucopyranuronosyl-D-mannose is found in fruits. Present as a structural unit in plant gums, e.g. damson (Prunus insitia), cherry (Prunus cerasus), Anogeissus lattifolia (gum ghatti).
Acaciabiuronic acid
Acaciabiuronic acid is found in cereals and cereal products. Probably the commonest aldobiouronic acid present as a structural unit in plant gums. It is isolated from partial acid hydrolysates from the following plants; black wattle (Acacia mollissima), Acacia senegal, Acacia pycnantha, Acacia karroo, Acacia cyanophylla, egg plum (Prunus domestica), almond (Prunus amygdalus), peach (Prunus persica), Anogeissus lattifolia (gum ghatti), Vigilia oroboides, Afraegle paniculata, Ferula and Chorisia species Also isolated from hydrolysates of maritime pine (Pinus pinaster) hemicellulose and wheat stra
3-O-beta-D-Galactopyranuronosyl-D-galactose
3-O-beta-D-Galactopyranuronosyl-D-galactose is found in fruits. 3-O-beta-D-Galactopyranuronosyl-D-galactose is isolated from Spondias dulcis (ambarella) gum. Isolated from Spondias dulcis (ambarella) gum. 3-O-beta-D-Galactopyranuronosyl-D-galactose 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
Bisdethiobis(methylthio)gliotoxin
Glucose lactate lactate
(S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid
Laquinimod
C308 - Immunotherapeutic Agent N - Nervous system
Cyclohexyl-[cyclohexyl(sulfo)amino]sulfamic acid
Aldobionic acid
Aldobionic acid, also known as beta-D-glca-(1->6)-beta-D-gal or glcab1-6galb, is a member of the class of compounds known as O-glucuronides. O-glucuronides are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Aldobionic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Aldobionic acid can be found in quince, which makes aldobionic acid a potential biomarker for the consumption of this food product.
Aldobiouronic acid
Aldobiouronic acid is also known as aldobiouronate. Aldobiouronic acid is soluble (in water) and a very weakly acidic compound (based on its pKa). Aldobiouronic acid can be found in almond and corn, which makes aldobiouronic acid a potential biomarker for the consumption of these food products.
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
O1-(4-Chlorobenzoyl)-2-[(2-furylmethyl)sulfonyl]ethanehydroximamide
Ethyl 2-{[2-cyano-3-(4-hydroxyphenyl)acryloyl]amino}-4-methylthiophene-3-carboxylate
diMe-STA2DC
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
Coumaroyl + C6H9O8 (isomer of 844, 845, 846)
Annotation level-3
2-O-(beta-D-Glucopyranosyluronsaeure)-D-mannose|2-O-(beta-D-Glucuronpyranosyl)-D-mannose|O1-D-mannose-2-yl-beta-D-glucopyranuronic acid|O1-D-Mannose-2-yl-beta-D-glucopyranuronsaeure
4-O-(alpha-D-Galactopyranosyluronsaeure)-D-galactose|4-O-(alpha-D-Galactopyranosyluronsaeure)-D-galaktose|alpha-D-GalpA1 -> 4 D-Galp
1alpha,4alpha-dihydroxy-3beta-chloro-8alpha-acetoxyguai-10(14),11(13)-dien-6alpha,12-olide|8alpha-acetoxy-3beta-chloro-1alpha,4alpha-dihydroxyguai-10(14),11(13)-dien-6alpha,12-olide
1alpha,4alpha-dihydroxy-3beta-chloro-8alpha-acetoxyguai-9,11(13)-dien-6alpha,12-olide|8alpha-acetoxy-3beta-chloro-1alpha,4alpha-dihydroxyguai-9,11(13)-dien-6alpha,12-olide
1-(2,5-Dihydroxy-4-bromophenyl)-3-hydroxy-3,7-dimethyl-6-octene-1-one
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
(SC2RC7RS)-gamma-glutamyl-S-benzylcysteine sulfoxide|(SC2RC7SS)-gamma-glutamyl-S-benzylcysteine sulfoxide|gamma-L-glutamyl-petiveriin A|gamma-L-glutamyl-petiveriin B|??-L-Glutamyl-petiveriin A|??-L-Glutamyl-petiveriin B
1-butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione
O2-alpha-D-glucopyranosyl-D-glucuronic acid|O2-alpha-D-Glucopyranosyl-D-glucuronsaeure
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
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
2-C-carboxy-3-deoxy-5-O-alpha-D-galactopyranosyl-D-pentonic acid
6-O-(beta-D-Galaktopyranosyluronsaeure)-L-galactose|6-O-(beta-D-Glucopyranosyluronsaeure)-D-galactose|6-O-(beta-D-Glucuronpyranosyl)-D-galactose|O1-D-galactose-6-yl-beta-D-glucopyranuronic acid|O1-D-Galactose-6-yl-beta-D-glucopyranuronsaeure
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
2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid
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)
7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Bisdethiobis(methylthio)gliotoxin
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]
2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based on: CCMSLIB00000848339]
2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based: Match]
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
methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate_major
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
5-[[4-(ACETYLAMINO)PHENYL]THIO]-1H-BENZIMIDAZOL-2-YL]-CARBAMIC ACID METHYL ESTER
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
6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile
N-[[4-[5-methyl-3-phenylisoxazol-4-yl]phenyl]sulfonyl]acetamide
fletazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate
2,6-Bis(methylthio)-3,5-diphenyl-4H-thiopyran-4-one
[(3,5,6-trichloro-2-pyridyl)oxy]acetic acid, compound with triethylamine (1:1)
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
(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
1,6-anhydro-3,4-o-isopropylidene-2-tosyl-b-d-galactopyranose
sodium bis(2-hydroxyethyl) 5-sulphonatoisophthalate
1-CYCLOPROPYL-5-NITRO-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3- QUINOLINECARBOXYLIC ACID ETHYL ESTER
Pyrantel tartrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Pyrantel tartrate is an orally active anthelmintic and an agonist of the nicotinic acetylcholine receptor (nAChR). Pyrantel tartrate can cause spasmodic muscle paralysis in parasites. Pyrantel tartrate can be used in the study of parasitic infections such as ascariasis, hookworm infections, intestinal worms (pinworm infections), trichinosis and trichinosis[1][2].
5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
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
(5R)-3-{3-Fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one
AICAR phosphate
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].
Benzoic acid, 4-methyl-, 4-oxo-2-phenyl-4H-1-benzopyran-3-yl ester
1-(3-CHLOROPHENYL)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)UREA
(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)-
5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione
Chlorisondamine
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
methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
methyl (4R)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose
N4-Acetylsulfaphenazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
2-Methoxy-4-[3-(2-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
3-[(4-Chloroanilino)methylidene]-2-(2-hydroxyethylimino)-9-methyl-4-pyrido[1,2-a]pyrimidinone
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-1,3-thiazol-4-one
1-(4-Morpholinyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
1-(4-Morpholinyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
(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
deacetoxycephalosporin C(1-)
Conjugate base of deacetoxycephalosporin C
D-pantetheine 4-phosphate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Deoxyviolaceinate
A monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
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
(2S)-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1H-indole-2-carboxylate
2-Hydroxypropanoyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate
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
[3,4,5-Trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl] formate
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
5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamide
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
3-Oxo-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]butanoic acid ethyl ester
2-(1-Benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole
methyl 4-{[2-(methylsulfanyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]carbonyl}phenyl ether
5-Chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid
5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
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
1-[4-(3-Chloro-2,4,6-trifluorophenyl)sulfonyl-1-piperazinyl]ethanone
5-Chloro-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)-3-pyridazinone
5-Chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
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
N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
N-[3-(3-chlorophenyl)-5-isoxazolyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
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
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
11-hydroxy-O-methyldihydrosterigmatocystin
A sterigmatocystin that is the 11-hydroxy-8-O-methyl derivative of dihydrosterigmatocystin.
2-(1H-benzimidazol-2-yl)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile
3,4,5-Trihydroxy-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-2-carboxylic acid
4-acetamido-3-methoxyphenyl beta-D-glucopyranosiduronate
[3-[2-Hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulate
2-(4-Methoxyphenyl)imino-4-(4-nitrophenyl)-4-oxobutanoic acid methyl ester
[3-Hydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] hydrogen sulate
2-Hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid
5-Amino-6-(5-phospho-D-ribitylamino)uracil
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-)
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.
Bay K-8644
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
2-methoxyacetaminophen glucuronide(1-)
A beta-D-glucosiduronate that is the conjugate base of 2-methoxyacetaminophen glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.
alpha-Ribazole 5-phosphate(2-)
Dianion of alpha-ribazole 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Desformylflustrabromine hydrochloride
Desformylflustrabromine hydrochloride is a selective agonist of α4β2 neuronal nicotinic acetylcholine receptor (nAChR) with a pEC50 of 6.48.
Encenicline hydrochloride
Encenicline hydrochloride (EVP-6124 hydrochloride) is a novel partial agonist of α7 neuronal nicotinic acetylcholine receptors (nAChRs).
(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3s,4r,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acid
(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
n-[1,4-bis(3,4-dihydroxyphenyl)-3-[(hydroxymethylidene)amino]buta-1,3-dien-2-yl]carboximidic acid
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
(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
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"}