Exact Mass: 428.079
Exact Mass Matches: 428.079
Found 199 metabolites which its exact mass value is equals to given mass value 428.079,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
fosfestrol
Diethylstilbestrol Diphosphate
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D000970 - Antineoplastic Agents
Rhodomycinone
ε-Rhodomycinone
A carboxylic ester that is the methyl ester of (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
Eltanexor
Eltanexor
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
Theaflavic acid
3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulene-8-carboxylic acid
Epitheaflavic acid is found in tea. Epitheaflavic acid is isolated from black tea Camellia sinensis. Isolated from black tea Camellia sinensis. Epitheaflavic acid is found in tea.
3-Chloro-2-methyl-N-(4-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)thiazol-2-yl)benzenesulfonamide
3-chloro-2-methyl-N-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl}benzene-1-sulfonamide
(E)-4,4'-(Hex-3-ene-3,4-diyl)bis(4,1-phenylene) bis(dihydrogen phosphate)
(e)-4,4-(Hex-3-ene-3,4-diyl)bis(4,1-phenylene) bis(dihydrogen phosphoric acid)
[4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenyl] phosphono hydrogen phosphate
{[hydroxy({4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy})phosphoryl]oxy}phosphonic acid
Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
(2R,3S) -3,5,7,3,4-Pentahydroxyflavan 3-O- (1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
O1-Cinnamoyl-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enehydroximamide
O1-Cinnamoyl-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enehydroximamide
4-(3,4-Dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid 1,2-dicarboxyethyl ester
4-(3,4-Dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid 1,2-dicarboxyethyl ester
(1alpha,2beta,3alpha)-Tribenzoyl-4-Cyclopentene-1,2,3-triol
(1alpha,2beta,3alpha)-Tribenzoyl-4-Cyclopentene-1,2,3-triol
2,7,8-Tri-Me ether,di-Ac-2,3,5,7,8-Pentahydroxyflavone
2,7,8-Tri-Me ether,di-Ac-2,3,5,7,8-Pentahydroxyflavone
(5E,8Z,14Z)-6-iodoicosa-5,8,14-trien-11-ynoic acid
(5E,8Z,14Z)-6-iodoicosa-5,8,14-trien-11-ynoic acid
canthin-6-one-9-methoxy-5-O-beta-D-glucopyranoside
canthin-6-one-9-methoxy-5-O-beta-D-glucopyranoside
7-O-beta-D-(6-O-malonyl)glucopyranosyl-5-methoxy-1(3H)-isobenzofuranone
7-O-beta-D-(6-O-malonyl)glucopyranosyl-5-methoxy-1(3H)-isobenzofuranone
(-)-3-hydroxy-N-methylwelwitindolinone C isothiocyanate|3-hydroxy-N-methylwelwitindolinone C isothiocyanate
(-)-3-hydroxy-N-methylwelwitindolinone C isothiocyanate|3-hydroxy-N-methylwelwitindolinone C isothiocyanate
SMZ-Pt
SMZ-Pt
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 3102
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one_major
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one_major
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
Cys Cys Cys Thr
(2S,3R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid
Cys Cys Phe Gly
2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]acetic acid
Cys Cys Gly Phe
(2S)-2-{2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetamido}-3-phenylpropanoic acid
Cys Cys Thr Cys
(2R)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid
Cys Phe Cys Gly
2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]acetic acid
Cys Phe Gly Cys
(2R)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]acetamido}-3-sulfanylpropanoic acid
Cys Gly Cys Phe
(2S)-2-[(2R)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]-3-phenylpropanoic acid
Cys Gly Phe Cys
(2R)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-phenylpropanamido]-3-sulfanylpropanoic acid
Cys Thr Cys Cys
(2R)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- glucuronide
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- glucuronide
Phe Cys Cys Gly
2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetic acid
Phe Cys Gly Cys
(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanoic acid
Phe Gly Cys Cys
(2R)-2-[(2R)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid
Gly Cys Cys Phe
(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
Gly Cys Phe Cys
(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid
Gly Phe Cys Cys
(2R)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid
Thr Cys Cys Cys
(2R)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid
Theaflavic acid
3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulene-8-carboxylic acid
Melarsomine
Melarsomine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(1-Carboxyethyl)-triphenylphosphonium bromide methyl ester
(1-Carboxyethyl)-triphenylphosphonium bromide methyl ester
4,4-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]
4,4-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
4-N-OCTYLOXYBENZOIC ACID 2,4,5-TRICHLOROPHENYL ESTER
4-N-OCTYLOXYBENZOIC ACID 2,4,5-TRICHLOROPHENYL ESTER
((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide
((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide
N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
benzene-1,4-diamine,5-(1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
benzene-1,4-diamine,5-(1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
(Dimethylamino)dimethyl(2,3,4,5,6-pentafluorophenoxy)methanaminium hexafluorophosphate
(Dimethylamino)dimethyl(2,3,4,5,6-pentafluorophenoxy)methanaminium hexafluorophosphate
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-(4-methylphenyl)sulfanylpyridine-3-carboxamide
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-(4-methylphenyl)sulfanylpyridine-3-carboxamide
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide
ethyl 1-(4-bromophenyl)-6,8-dimethoxypyrazolo[4,5,1-hi]indole-5-carboxylate
ethyl 1-(4-bromophenyl)-6,8-dimethoxypyrazolo[4,5,1-hi]indole-5-carboxylate
2-Oxo-3-{[2-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-2,3-dihydro-1H-benzimidazole-4-carboxylic acid
2-Oxo-3-{[2-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-2,3-dihydro-1H-benzimidazole-4-carboxylic acid
2,2-(3-Bromo-4-methylthiophene-2,5-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
2,2-(3-Bromo-4-methylthiophene-2,5-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate
tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate
1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one
1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one
1-(4-nitrophenoxy)-2-[2-(4-nitrophenoxy)phenyl]benzene
1-(4-nitrophenoxy)-2-[2-(4-nitrophenoxy)phenyl]benzene
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]propan-1-one
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]propan-1-one
Uprosertib
Uprosertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Uprosertib (GSK2141795) is a potent and selective pan-Akt inhibitor with IC50 values of 180/328/38 nM for Akt1/Akt2/Akt3, respectively.
Benzoic acid, 2-((3S,4R)-3,4-dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)-
Benzoic acid, 2-((3S,4R)-3,4-dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)-
3-Phenyl-3-({[4-(4-pyridin-4-ylphenyl)thien-2-YL]carbonyl}amino)propanoic acid
3-Phenyl-3-({[4-(4-pyridin-4-ylphenyl)thien-2-YL]carbonyl}amino)propanoic acid
methyl 2-[2-chloro-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
methyl 2-[2-chloro-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
SJ-172550 is a small molecule inhibitor of MDMX; competes for the wild type p53 peptide binding to MDMX with an EC50 of 5 μM.
N-(4-hydroxyphenyl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
N-(4-hydroxyphenyl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
15-(1,3-Dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
15-(1,3-Dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
4-[[Glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline
4-[[Glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline
Methyl 4-Bromo-N-[8-(Hydroxyamino)-8-Oxooctanoyl]-L-Phenylalaninate
Methyl 4-Bromo-N-[8-(Hydroxyamino)-8-Oxooctanoyl]-L-Phenylalaninate
3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid
3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid
(2S)-2-[(2R,3R,4R,5S,6R)-3-[[(2R)-2-amino-3-(hydroxymethylsulfanyl)propanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
(2S)-2-[(2R,3R,4R,5S,6R)-3-[[(2R)-2-amino-3-(hydroxymethylsulfanyl)propanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
[4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenyl] phosphono hydrogen phosphate
[4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenyl] phosphono hydrogen phosphate
rostratin A
rostratin A
An organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.
4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
3-[(4-Methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
3-[(4-Methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
ethyl {1-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-3-oxopiperazin-2-yl}acetate
ethyl {1-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-3-oxopiperazin-2-yl}acetate
2-(4-bromophenyl)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)-1-piperidinyl]ethanone
2-(4-bromophenyl)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)-1-piperidinyl]ethanone
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
ethyl 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
4-(3,5-Dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester
4-(3,5-Dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester
N-(4-bromo-2-methylphenyl)-4-[(1-methyl-2-oxo-4-quinolinyl)oxy]butanamide
N-(4-bromo-2-methylphenyl)-4-[(1-methyl-2-oxo-4-quinolinyl)oxy]butanamide
3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide
3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester
(6S,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-isocyanopropanoate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-isocyanopropanoate
Hydroxy ziprasidone
Hydroxy ziprasidone
Hydroxy ziprasidone is an impurity of Ziprasidone[1]. Ziprasidone, an antipsychotic agent, is a combined 5-HT (serotonin) and dopamine receptor antagonist[2].
Valopicitabine (dihydrochloride)
Valopicitabine (dihydrochloride)
Valopicitabine (NM283) dihydrochloride is a nucleoside analog and the orally bioavailable proagent of the potent anti-HCV agent 2'-C-methylcytidine (NM107). NM107competitively inhibits NS5B polymerase, causing chain termination[1][2].
4,5-dihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
4,5-dihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]butanedioic acid
2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]butanedioic acid
(2s,3s)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(2s,3s)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(1s,2s,3s,6s,8r,9s)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(1s,2s,3s,6s,8r,9s)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
methyl (1s,2r,4r)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1s,2r,4r)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]methyl acetate
[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]methyl acetate
(2r)-2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]butanedioic acid
(2r)-2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]butanedioic acid
3-{[(8s)-6,15,16-trimethoxy-12-oxo-11-oxa-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,13,15-heptaen-8-yl]sulfanyl}propanimidic acid
3-{[(8s)-6,15,16-trimethoxy-12-oxo-11-oxa-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,13,15-heptaen-8-yl]sulfanyl}propanimidic acid
(2s,3s,6r,8s)-4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione
(2s,3s,6r,8s)-4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione
3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,2''-o-malicacid ester
NA
{"Ingredient_id": "HBIN008377","Ingredient_name": "3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,2''-o-malicacid ester","Alias": "NA","Ingredient_formula": "C21H16O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3167","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,4as,5s,6ar,12r,12as)-3-[(1s)-1-bromo-2-hydroxyethyl]-5,12-dihydroxy-3,12a-dimethyl-2h,4h,4ah,5h,6h,6ah,8h,9h,10h,12h-cycloocta[a]naphthalene-7,11-dione
(3r,4as,5s,6ar,12r,12as)-3-[(1s)-1-bromo-2-hydroxyethyl]-5,12-dihydroxy-3,12a-dimethyl-2h,4h,4ah,5h,6h,6ah,8h,9h,10h,12h-cycloocta[a]naphthalene-7,11-dione
4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione
4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione
(1s,4ar,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-10a-methyl-4-methylidene-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene
(1s,4ar,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-10a-methyl-4-methylidene-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene
1,2,3,4,5-pentahydroxy-8-(methanesulfonylmethyl)-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
1,2,3,4,5-pentahydroxy-8-(methanesulfonylmethyl)-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexyl acetate
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexyl acetate
[2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]methyl acetate
[2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]methyl acetate
(1s,2s,6r,7r,9r,10s,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
(1s,2s,6r,7r,9r,10s,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
3-(1-bromo-2-hydroxyethyl)-5,12-dihydroxy-3,12a-dimethyl-2h,4h,4ah,5h,6h,6ah,8h,9h,10h,12h-cycloocta[a]naphthalene-7,11-dione
3-(1-bromo-2-hydroxyethyl)-5,12-dihydroxy-3,12a-dimethyl-2h,4h,4ah,5h,6h,6ah,8h,9h,10h,12h-cycloocta[a]naphthalene-7,11-dione
4-(benzylsulfanyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
4-(benzylsulfanyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
2,3-dihydroxypropyl 7-hydroxy-2-(4-hydroxy-6-methyl-2-oxo-5,6-dihydropyran-3-yl)-9h-pyrido[2,3-b]indole-4-carboxylate
2,3-dihydroxypropyl 7-hydroxy-2-(4-hydroxy-6-methyl-2-oxo-5,6-dihydropyran-3-yl)-9h-pyrido[2,3-b]indole-4-carboxylate
5,8,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,12-dione
5,8,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,12-dione
(4s,5r,6s)-4,5-dihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
(4s,5r,6s)-4,5-dihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
3-[7-methyl-6,8-dioxo-7-(3,4,6-trihydroxy-2-methylbenzoyloxy)isochromen-3-yl]prop-2-enoic acid
3-[7-methyl-6,8-dioxo-7-(3,4,6-trihydroxy-2-methylbenzoyloxy)isochromen-3-yl]prop-2-enoic acid
(1s)-6'-butanoyl-1',8'-dihydroxy-7'-methylspiro[2-benzofuran-1,9'-phenanthrene]-3,10'-dione
(1s)-6'-butanoyl-1',8'-dihydroxy-7'-methylspiro[2-benzofuran-1,9'-phenanthrene]-3,10'-dione
7-{[(1s,3s,4r,5s,8r)-4,8-dihydroxy-7-oxo-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}-5,6-dihydroxy-2-phenylchromen-4-one
7-{[(1s,3s,4r,5s,8r)-4,8-dihydroxy-7-oxo-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}-5,6-dihydroxy-2-phenylchromen-4-one
(1r,2s,3r,4s)-1,2,3,4,5-pentahydroxy-8-(methanesulfonylmethyl)-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
(1r,2s,3r,4s)-1,2,3,4,5-pentahydroxy-8-(methanesulfonylmethyl)-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
(1r,4s,5s,12r)-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0¹⁵,²⁰]tricosa-6,9,15,17,19-pentaen-5-yl acetate
(1r,4s,5s,12r)-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0¹⁵,²⁰]tricosa-6,9,15,17,19-pentaen-5-yl acetate
(1s,2r,6r,7r,9r,10s,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
(1s,2r,6r,7r,9r,10s,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl (1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl (1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl 4-hydroxy-2-methylbut-2-enoate
9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl 4-hydroxy-2-methylbut-2-enoate
7-({4,8-dihydroxy-7-oxo-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-5,6-dihydroxy-2-phenylchromen-4-one
7-({4,8-dihydroxy-7-oxo-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-5,6-dihydroxy-2-phenylchromen-4-one
(2s)-2,3-dihydroxypropyl 7-hydroxy-2-(4-hydroxy-6-methyl-2-oxo-5,6-dihydropyran-3-yl)-9h-pyrido[2,3-b]indole-4-carboxylate
(2s)-2,3-dihydroxypropyl 7-hydroxy-2-(4-hydroxy-6-methyl-2-oxo-5,6-dihydropyran-3-yl)-9h-pyrido[2,3-b]indole-4-carboxylate
(1s,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-1,2,3,4b,7,8,9,10-octahydrophenanthrene
(1s,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-1,2,3,4b,7,8,9,10-octahydrophenanthrene
(2s,6r,7r,9r,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
(2s,6r,7r,9r,11s,12r,14s)-9-(chloromethyl)-9,11-dihydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
3-acetyl-2,7-dihydroxy-1-methoxy-4,6,11-trioxo-4a,12-dihydro-1h-5-oxatetracene-12a-carboxylic acid
3-acetyl-2,7-dihydroxy-1-methoxy-4,6,11-trioxo-4a,12-dihydro-1h-5-oxatetracene-12a-carboxylic acid
methyl (1s,4r)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1s,4r)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(11r,15r,17r)-2-hydroxy-5-[(2r,4r,6r)-4-hydroxy-6-methyl-5-oxooxan-2-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),2,5,8-tetraene-4,7,13-trione
(11r,15r,17r)-2-hydroxy-5-[(2r,4r,6r)-4-hydroxy-6-methyl-5-oxooxan-2-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),2,5,8-tetraene-4,7,13-trione
(1r)-6'-butanoyl-1',8'-dihydroxy-7'-methylspiro[2-benzofuran-1,9'-phenanthrene]-3,10'-dione
(1r)-6'-butanoyl-1',8'-dihydroxy-7'-methylspiro[2-benzofuran-1,9'-phenanthrene]-3,10'-dione
3-[(7r)-7-methyl-6,8-dioxo-7-(3,4,6-trihydroxy-2-methylbenzoyloxy)isochromen-3-yl]prop-2-enoic acid
3-[(7r)-7-methyl-6,8-dioxo-7-(3,4,6-trihydroxy-2-methylbenzoyloxy)isochromen-3-yl]prop-2-enoic acid
2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0¹⁵,²⁰]tricosa-6,9,15,17,19-pentaen-5-yl acetate
2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0¹⁵,²⁰]tricosa-6,9,15,17,19-pentaen-5-yl acetate
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
[3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-2-yl]methyl acetate
[3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-2-yl]methyl acetate
1-bromo-8a-(bromomethyl)-8-isopropyl-10a-methyl-4-methylidene-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene
1-bromo-8a-(bromomethyl)-8-isopropyl-10a-methyl-4-methylidene-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-1,2,3,4b,7,8,9,10-octahydrophenanthrene
1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-1,2,3,4b,7,8,9,10-octahydrophenanthrene
