Exact Mass: 428.082
Exact Mass Matches: 428.082
Found 208 metabolites which its exact mass value is equals to given mass value 428.082
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
fosfestrol
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
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
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
Theaflavic 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
(E)-4,4'-(Hex-3-ene-3,4-diyl)bis(4,1-phenylene) bis(dihydrogen phosphate)
[4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenyl] phosphono hydrogen phosphate
Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
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
(1alpha,2beta,3alpha)-Tribenzoyl-4-Cyclopentene-1,2,3-triol
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
canthin-6-one-9-methoxy-5-O-beta-D-glucopyranoside
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
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_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
Cys Cys Cys Thr
Cys Cys Phe Gly
Cys Cys Gly Phe
Cys Cys Thr Cys
Cys Phe Cys Gly
Cys Phe Gly Cys
Cys Gly Cys Phe
Cys Gly Phe Cys
Cys Thr Cys Cys
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- glucuronide
Phe Cys Cys Gly
Phe Cys Gly Cys
Phe Gly Cys Cys
Gly Cys Cys Phe
Gly Cys Phe Cys
Gly Phe Cys Cys
Thr Cys Cys Cys
Theaflavic acid
Melarsomine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(1-Carboxyethyl)-triphenylphosphonium bromide methyl ester
4,4-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
4-N-OCTYLOXYBENZOIC ACID 2,4,5-TRICHLOROPHENYL ESTER
((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide
N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
benzene-1,4-diamine,5-(1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
(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
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
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
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)
tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate
1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one
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
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)-
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
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
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
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
(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
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
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
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
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
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
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
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
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
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
(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,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
6-[2-(Carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(Carboxymethyl)-3,5-dihydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-isocyanopropanoate
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 (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
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
(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
[(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
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
3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,2''-o-malicacid ester
{"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"}