Exact Mass: 431.1096
Exact Mass Matches: 431.1096
Found 173 metabolites which its exact mass value is equals to given mass value 431.1096,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
SB 228357
N-(3-(3-Pyridinyl)-5-fluorophenyl)-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
SB228357 is a selective, potent and orall active 5-HT2C/2B receptor antagonist with pKi values of 6.9, 8.0 and 9.0 for 5-HT2A, 5-HT2B and 5-HT2C, respectively. SB228357 has antidepressant/anxiolytic effects[1][2].
Ribosylzeatin phosphate
{[3,4-dihydroxy-5-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
Ribosylzeatin phosphate is found in cereals and cereal products. Ribosylzeatin phosphate is isolated from Zea mays (sweet corn Isolated from Zea mays (sweet corn). (E)-Ribosylzeatin 5-phosphate is found in cereals and cereal products and fats and oils.
Ochratoxin C
5-chloro-N-(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboximidic acid
Ochratoxin C is a metabolite of Aspergillus ochraceu
Oxynarcotine
2,3-dimethoxy-6-(2-{4-methoxy-6-[2-(methylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)benzoic acid
Oxynarcotine is an alkaloid from Papaver somniferum (opium poppy
Albaconazole
7-chloro-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-3,4-dihydroquinazolin-4-one
2-Fluorobutyl 2-(8-azabicyclo[3.2.1]octan-1-yl)-5-iodobenzoate
2-Fluorobutyl 2-(8-azabicyclo[3.2.1]octan-1-yl)-5-iodobenzoic acid
Imidazo(5,1-F)(1,2,4)triazine, 4-(3-fluoro-1-azetidinyl)-7-methyl-5-(1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-
4-(3-(18F)Fluoroazetidin-1-yl)-7-methyl-5-(1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)imidazo(5,1-F)(1,2,4)triazine
8-benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
8-benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
2,3-dihydroxypropyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
2,3-dihydroxypropyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
C22H25NO8_8-Benzoyl-2-[(3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
NCGC00381039-01_C22H25NO8_8-Benzoyl-2-[(3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8_1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-, (5S,8S,9R)
NCGC00380089-01_C22H25NO8_1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-, (5S,8S,9R)-
C22H25NO8_8-Benzoyl-2-[(3E)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
NCGC00380982-01_C22H25NO8_8-Benzoyl-2-[(3E)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione_major
(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione_major
Ochratoxin C
ethyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoate
A phenylalanine derivative that is the ethyl ester of ochratoxin A. D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Nornarceine
2,3-dimethoxy-6-(2-{4-methoxy-6-[2-(methylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)benzoic acid
Ribosylzeatin phosphate
{[3,4-dihydroxy-5-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
(Benzotriazol-1-Yloxy)Dipyrrolidinocarbenium Hexafluorophosphate
(Benzotriazol-1-Yloxy)Dipyrrolidinocarbenium Hexafluorophosphate
(4Z)-4-[(3-chlorophenyl)hydrazinylidene]-N-(2-methoxyphenyl)-3-oxonaphthalene-2-carboxamide
(4Z)-4-[(3-chlorophenyl)hydrazinylidene]-N-(2-methoxyphenyl)-3-oxonaphthalene-2-carboxamide
Tiodazosin
Tiodazosin
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
3-(4-Fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxamide
3-(4-Fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxamide
4-(2-CHLORO-6-((4-(METHYLSULFONYL)PIPERAZIN-1-YL)METHYL)THIENO[3,2-D]PYRIMIDIN-4-YL)MORPHOLINE
4-(2-CHLORO-6-((4-(METHYLSULFONYL)PIPERAZIN-1-YL)METHYL)THIENO[3,2-D]PYRIMIDIN-4-YL)MORPHOLINE
Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-8-methyl-6-nitro-1,3-diphenyl-
Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-8-methyl-6-nitro-1,3-diphenyl-
3-IODO-N-ISOBUTYL-1-(((TRIMETHYLSILYL)METHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-4-AMINE
3-IODO-N-ISOBUTYL-1-(((TRIMETHYLSILYL)METHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-4-AMINE
BTZ043
2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
N4-(3-Chloro-4-fluorophenyl)-7-(3-morpholinopropoxy)quinazoline-4,6-diamine
N4-(3-Chloro-4-fluorophenyl)-7-(3-morpholinopropoxy)quinazoline-4,6-diamine
clidinium bromide
clidinium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent Clidinium bromide is a quaternary amine antimuscarinic agent. Clidinium bromide may help symptoms of cramping and abdominal/stomach pain by decreasing stomach acid, and slowing the intestines in vivo[1].
N-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-3-(4-(PYRIDIN-3-YLOXY)PHENYL)-1H-1,2,4-TRIAZOL-5-AMINE
N-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-3-(4-(PYRIDIN-3-YLOXY)PHENYL)-1H-1,2,4-TRIAZOL-5-AMINE
1-[4-BROMO-2-(HYDROXYMETHYL)PHENYL]-4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL) BUTAN-1-OL HYDROCHLORIDE
1-[4-BROMO-2-(HYDROXYMETHYL)PHENYL]-4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL) BUTAN-1-OL HYDROCHLORIDE
(3S,5S,6R)-TERT-BUTYL 3-BROMO-2-OXO-5,6-DIPHENYLMORPHOLINE-4-CARBOXYLATE
(3S,5S,6R)-TERT-BUTYL 3-BROMO-2-OXO-5,6-DIPHENYLMORPHOLINE-4-CARBOXYLATE
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
Chitinase
Chitinase
Phosphoglucomutase, also known as rnase, pancreatic or pancreatic rnase, is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Phosphoglucomutase is soluble (in water) and a weakly acidic compound (based on its pKa). Phosphoglucomutase can be found in soy bean, which makes phosphoglucomutase a potential biomarker for the consumption of this food product. Phosphoglucomutase (EC 5.4.2.2) is an enzyme that transfers a phosphate group on an α-D-glucose monomer from the 1 to the 6 position in the forward direction or the 6 to the 1 position in the reverse direction .
(((2-(6-aMino-9H-purin-9-yl)ethoxy)Methyl)phosphoryl)bis(oxy)bis(Methylene) isopropyl dicarbonate
(((2-(6-aMino-9H-purin-9-yl)ethoxy)Methyl)phosphoryl)bis(oxy)bis(Methylene) isopropyl dicarbonate
ethyl 5-(benzyloxy)-6-broMo-2-(2-hydroxyethyl)-1-Methyl-1H-indole-3-carboxylate
ethyl 5-(benzyloxy)-6-broMo-2-(2-hydroxyethyl)-1-Methyl-1H-indole-3-carboxylate
5-O-(2-AZIDO-2-DEOXY-BETA-D-MANNOPYRANOSYL)-URIDINE
5-O-(2-AZIDO-2-DEOXY-BETA-D-MANNOPYRANOSYL)-URIDINE
Albaconazole
Albaconazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Ioflupane I-123
Ioflupane I-123
V - Various > V09 - Diagnostic radiopharmaceuticals > V09A - Central nervous system > V09AB - Iodine (123i) compounds C1446 - Radiopharmaceutical Compound
(1S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
(1S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one
1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
(4R,2S)-5-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
(4R,2S)-5-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Guanosine, 2-deoxy-6-O-ethyl-2-fluoro-2-methyl-, cyclic 3,5-(1-methylethyl (R)-phosphate), (2R)-
Guanosine, 2-deoxy-6-O-ethyl-2-fluoro-2-methyl-, cyclic 3,5-(1-methylethyl (R)-phosphate), (2R)-
N-[4-[2-[3-(dimethylsulfamoyl)anilino]-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide
N-[4-[2-[3-(dimethylsulfamoyl)anilino]-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide
5-{[1-(2,3-Dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
5-{[1-(2,3-Dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
2-Mercapto-N-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[A]heptalen-7-YL]acetamide
2-Mercapto-N-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[A]heptalen-7-YL]acetamide
Oxynarcotine
2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]-1-oxoethyl]benzoic acid
Vitexin-7-olate
Vitexin-7-olate
Conjugate base of vitexin arising from deprotonation of the 7-hydroxy group; major species at pH 7.3.
7-alpha-hydroxy-O-carbamoyl-deacetylcephalosporin C
7-alpha-hydroxy-O-carbamoyl-deacetylcephalosporin C
3-(beta-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
3-(beta-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
2-[2-[2-[[(2S)-2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propanoyl]amino]ethoxy]-2-oxoethyl]-2-hydroxybutanedioate
2-[2-[2-[[(2S)-2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propanoyl]amino]ethoxy]-2-oxoethyl]-2-hydroxybutanedioate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trihydroxyphenyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trihydroxyphenyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
pseurotin A
pseurotin A
A spirocyclic that is 1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione bearing 1,2-dihydroxyhex-3-en-1-yl, methyl, methoxy, benzoyl and hydroxy substituents at positions 2, 3, 8, 8 and 9 respectively.
N2,N5-Bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide
N2,N5-Bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide
8-benzoyl-2-[(Z)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
8-benzoyl-2-[(Z)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
3-Phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole
3-Phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole
2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole
2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole
6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol
1-[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]ethanone
1-[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]ethanone
N-[4-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]pentanamide
N-[4-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]pentanamide
[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone
[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone
[4-[2-(3-Chlorophenyl)-5-ethynyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
[4-[2-(3-Chlorophenyl)-5-ethynyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
apigenin 7-O-beta-D-glucoside(1-)
apigenin 7-O-beta-D-glucoside(1-)
A flavonoid oxoanion that is the conjugate base of apigenin 7-O-beta-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
1-(4-Methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
1-(4-Methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
3-Nitro-4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]benzamide
3-Nitro-4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]benzamide
Ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
Ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
3,4,5-trimethoxy-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide
3,4,5-trimethoxy-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide
N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]acetamide
N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]acetamide
4-((E)-3-Oxo-3-pyridin-3-yl-propenylamino)-N-quinoxalin-2-yl-benzenesulfonamide
4-((E)-3-Oxo-3-pyridin-3-yl-propenylamino)-N-quinoxalin-2-yl-benzenesulfonamide
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-olate
7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-olate
(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2E,5Z)-5-[(3-bromophenyl)methylidene]-2-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
(2E,5Z)-5-[(3-bromophenyl)methylidene]-2-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
(1R,2S)-2-benzoyl-8-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
(1R,2S)-2-benzoyl-8-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
afzelin(1-)
afzelin(1-)
A flavonoid oxonion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of afzelin (kaempferol 3-O-alpha-L-rhamnoside). The major species at pH 7.3.
Vibrioferrin(3-)
Vibrioferrin(3-)
A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of vibrioferrin. The major species at pH 7.3.
9-ribosyl-trans-zeatin 5-monophosphate
9-ribosyl-trans-zeatin 5-monophosphate
A purine ribonucleoside 5-monophosphate that is AMP substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group.
CM037
CM037
CM037 is a selective inhibitor of ALDH1A1 (aldehyde dehydrogenase 1A1) with an IC50 of 4.6 μM[1].
EX229
EX229
EX229, a Benzimidazole derivative, is a potent and allosteric activator of AMP-activated protein kinase (AMPK), with Kds of 0.06 μM, 0.06 μM and 0.51 μM for α1β1γ1, α2β1γ1 and α1β2γ1 in biolayer interferometry, respectively.
GLX351322
GLX351322
GLX351322 is an inhibitor of NADPH oxidase 4 (Nox4), and inhibits hydrogen peroxide production from NOX4-overexpressing cells with an IC50 of 5 μM.
TP0463518
TP0463518
TP0463518 is a potent hypoxia-inducible factor prolyl hydroxylases (PHDs) inhibitor with a Ki value of 5.3 nM for human PHD2. TP0463518 also inhibits human PHD1/PHD3 with IC50s of 18 and 63 nM as well as monkey PHD2 with an IC50 value of 22 nM[1].
9-hydroxy-9-({3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl}methyl)-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
9-hydroxy-9-({3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl}methyl)-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
(4s,5s,5ar,6s,9as)-4-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
(4s,5s,5ar,6s,9as)-4-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
(5r,8s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
8-benzoyl-2-[(3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
8-benzoyl-2-[(3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-[(1r)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-[(1r)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
10-ethenyl-2-oxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-6-ium-6-olate
10-ethenyl-2-oxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-6-ium-6-olate
(5r,8s,9s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(4as,5s,12as)-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
(4as,5s,12as)-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
(6s,7s,9s,10r,11s)-10-ethenyl-2-oxo-11-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-6-ium-6-olate
(6s,7s,9s,10r,11s)-10-ethenyl-2-oxo-11-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-6-ium-6-olate
2-hydroxy-n-[(9r,10r)-9-hydroxy-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]ethanimidic acid
2-hydroxy-n-[(9r,10r)-9-hydroxy-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]ethanimidic acid
(5r,8r,9s)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8r,9s)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(2s,9r,9as)-9-hydroxy-9-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
(2s,9r,9as)-9-hydroxy-9-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
(5r,8s,9r)-8-benzoyl-2-[(1r,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9r)-8-benzoyl-2-[(1r,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(2s,3s)-3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
(2s,3s)-3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
4-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
4-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
[(e)-(6-oxo-1-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene)amino]oxysulfonic acid
[(e)-(6-oxo-1-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene)amino]oxysulfonic acid
(4as,5s,12as)-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-1,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
(4as,5s,12as)-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-1,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
(2s,9s,9ar)-9-hydroxy-9-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
(2s,9s,9ar)-9-hydroxy-9-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
1-acetyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-pyrido[3,4-b]indole-3-carboxamide
1-acetyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-pyrido[3,4-b]indole-3-carboxamide
(3r)-5-chloro-n-[(2s)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-carboximidic acid
(3r)-5-chloro-n-[(2s)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-carboximidic acid
5-chloro-n-[(2s)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-carboximidic acid
5-chloro-n-[(2s)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-carboximidic acid
(5r,8r,9s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8r,9s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,5as,6s,9as,9bs)-9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
(5r,5as,6s,9as,9bs)-9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
[(4s,5s,5ar,6s,9as)-4,5-dihydroxy-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-6-yl]methyl 4-nitrobenzoate
[(4s,5s,5ar,6s,9as)-4,5-dihydroxy-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-6-yl]methyl 4-nitrobenzoate
(5r,8s,9r)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9r)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1r,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1r,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-{[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)oxolan-2-yl]methoxyphosphonic acid
[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-{[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)oxolan-2-yl]methoxyphosphonic acid
9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
(8s,9r)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(8s,9r)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9r)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9r)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
{4,5-dihydroxy-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-6-yl}methyl 4-nitrobenzoate
{4,5-dihydroxy-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-6-yl}methyl 4-nitrobenzoate
5-hydroxy-6-[5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-(1-hydroxyethyl)-3-methylnaphtho[2,3-c]thiophene-4,9-dione
5-hydroxy-6-[5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-(1-hydroxyethyl)-3-methylnaphtho[2,3-c]thiophene-4,9-dione
(5r,8s,9r)-8-benzoyl-2-[(1s,2r,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9r)-8-benzoyl-2-[(1s,2r,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
