Exact Mass: 428.1015176
Exact Mass Matches: 428.1015176
Found 356 metabolites which its exact mass value is equals to given mass value 428.1015176,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Wortmannin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D007329 - Insulin Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D011838 - Radiation-Sensitizing Agents
SB243213A
CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9396; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4902; ORIGINAL_PRECURSOR_SCAN_NO 4900 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4912; ORIGINAL_PRECURSOR_SCAN_NO 4909 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4923; ORIGINAL_PRECURSOR_SCAN_NO 4921 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4879 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9447 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9442; ORIGINAL_PRECURSOR_SCAN_NO 9439 INTERNAL_ID 630; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9447 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4910; ORIGINAL_PRECURSOR_SCAN_NO 4906 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9358; ORIGINAL_PRECURSOR_SCAN_NO 9357 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9440; ORIGINAL_PRECURSOR_SCAN_NO 9438 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9390; ORIGINAL_PRECURSOR_SCAN_NO 9387
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.
Lacosamide-glucuronide
Lacosamide-glucuronide is a metabolite of lacosamide. Lacosamide (INN, formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
3-Chloro-2-methyl-N-(4-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)thiazol-2-yl)benzenesulfonamide
C17H21ClN4O3S2 (428.07435460000005)
(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
Balipodect
C23H17FN6O2 (428.13969539999994)
wortmannin
Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
3,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5,6,4-trimethoxyflavone
Brevipolide B
A pyranone that is a carboxylic ester of cis-4-coumaric acid. It is isolated from the whole plant of Hyptis brevipes and has been found to exhibit cytotoxicity against HT-29 and MCF-7 cancer cells.
Derrisin
5,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-3,6,4-trimethoxyflavone
9-(1,1-Dimethyl-2-propenyl)-2,3-dihydro-3,6,7,11-tetrahydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthen-5-on
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
1-Butanoyl-2,4,5,7,8-pentamethoxy-anthrachinon|1-Butyryl-2,4,5,7,8-pentamethoxy-anthrachinon
3,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-4,5,6-trimethoxyflavone
2-(1-O-feruloyl-2-hydroxyisopropyl)-5,6-dimethoxybenzofuran
(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
C20H29IO2 (428.12122039999997)
canthin-6-one-9-methoxy-5-O-beta-D-glucopyranoside
7-O-beta-D-(6-O-malonyl)glucopyranosyl-5-methoxy-1(3H)-isobenzofuranone
C18H20O12 (428.09547200000003)
3,8-dihydroxy-11-oxo-1-pentanoyl-6-propyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid methyl ester|Conloxodin|Couloxodin
(-)-3-hydroxy-N-methylwelwitindolinone C isothiocyanate|3-hydroxy-N-methylwelwitindolinone C isothiocyanate
3,4,6-Trimethoxy-3-(2-hydroxy-3-methyl-3-butenyl)-5,7-dihydroxyflavone
9-(1,1-dimethylprop-2-en-1-yl)-3,6,7,11-tetrahydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-5H-furo[3,2-b]xanthen-5-one
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one
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
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based on: CCMSLIB00000847582]
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based: Match]
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-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
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 Gly Ser Tyr
Cys Gly Tyr Ser
Cys Ser Gly Tyr
Cys Ser Tyr Gly
Cys Thr Cys Cys
Cys Tyr Gly Ser
Cys Tyr Ser Gly
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- glucuronide
C18H20O12 (428.09547200000003)
Phe Cys Cys Gly
Phe Cys Gly Cys
Phe Gly Cys Cys
Gly Cys Cys Phe
Gly Cys Phe Cys
Gly Cys Ser Tyr
Gly Cys Tyr Ser
Gly Phe Cys Cys
Gly Ser Cys Tyr
Gly Ser Tyr Cys
Gly Tyr Cys Ser
Gly Tyr Ser Cys
Ser Cys Gly Tyr
Ser Cys Tyr Gly
Ser Gly Cys Tyr
Ser Gly Tyr Cys
Ser Tyr Cys Gly
Ser Tyr Gly Cys
Thr Cys Cys Cys
Tyr Cys Gly Ser
Tyr Cys Ser Gly
Tyr Gly Cys Ser
Tyr Gly Ser Cys
Tyr Ser Cys Gly
Tyr Ser Gly 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
Benzoic acid,2-hydroxy-, tributylstannyl ester
C19H32O3Sn (428.13733119999995)
4-N-OCTYLOXYBENZOIC ACID 2,4,5-TRICHLOROPHENYL ESTER
(3AR,4R,5R,6AS)-4-((E)-3,3-DIFLUORO-4-PHENOXYBUT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE
C24H22F2O5 (428.14352260000004)
((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide
N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
C26H18Cl2N2 (428.08469679999996)
2-(trimethylsilyl)ethoxymethyltriphenylphosphonium chloride
benzene-1,4-diamine,5-(1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-(4-methylphenyl)sulfanylpyridine-3-carboxamide
C20H20N4O5S (428.11543500000005)
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
C19H24O11 (428.13185539999995)
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide
C24H16N2O4S (428.08307360000003)
1-Boc-4-(3-Iodo-1H-indazol-4-yl)piperazine
C16H21IN4O2 (428.07091959999997)
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)
C17H27B2BrO4S (428.09994220000004)
tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate
C16H21IN4O2 (428.07091959999997)
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)-
C24H19F3O4 (428.12353700000006)
Balipodect
C23H17FN6O2 (428.13969539999994)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
3-Phenyl-3-({[4-(4-pyridin-4-ylphenyl)thien-2-YL]carbonyl}amino)propanoic acid
5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SB 243213 is an orally active, selective and high-affinity 5-HT2C receptor antagonist with a pKi of 9.37 and a pKb of 9.8 for human 5-HT2C receptor. SB 243213 shows greater than a 100-fold selectivity over a wide range of neurotransmitter receptors, enzymes and ion channels. SB 243213 has improved anxiolytic profile and has the potential for schizophrenia and motor disorders[1].
methyl 2-[2-chloro-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
C22H21ClN2O5 (428.11389260000004)
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.
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
N-(4-hydroxyphenyl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
C21H20N2O4S2 (428.08644400000003)
1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
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
C17H20N2O9S (428.0889470000001)
2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]-N-[(1r)-1-(Hydroxymethyl)propyl]acetamide
2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]-N-[(1s)-1-(Hydroxymethyl)propyl]acetamide
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.
brevipolide A
A pyranone that is a carboxylic ester of trans-4-coumaric acid. It is isolated from the whole plant of Hyptis brevipes and has been found to exhibit cytotoxicity against HT-29 cancer cells.
4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
C22H16N6S2 (428.08778159999997)
N-(3,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
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
C21H20N2O6S (428.10420200000004)
3-[[Oxo-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methoxy]methyl]benzoic acid ethyl ester
2-[[2-[(4-Methoxyphenyl)methyl]-1,3-dioxo-4-isoquinolinylidene]methylamino]benzoic acid
ethyl {1-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-3-oxopiperazin-2-yl}acetate
C20H20N4O5S (428.11543500000005)
2-(4-bromophenyl)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)-1-piperidinyl]ethanone
S-butyryl-4-phosphopantetheine
C15H29N2O8PS (428.13821640000003)
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of butyric acid.
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
[2-(3-Chlorophenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
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
C20H20N4O3S2 (428.09767700000003)
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-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
4-Oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
3-(1,3-Dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide
C20H20N4O5S (428.11543500000005)
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
C20H20N4O5S (428.11543500000005)
N-(2,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide
C20H20N4O3S2 (428.09767700000003)
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
C20H20N4O3S2 (428.09767700000003)
(6S,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
(6S,7S,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
(1R,5S)-N-(4-chlorophenyl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(6S,7S,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
(6R,7R,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
6-[2-(Carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C19H24O11 (428.13185539999995)
6-[4-(Carboxymethyl)-3,5-dihydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C19H24O11 (428.13185539999995)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-isocyanopropanoate
C14H17N6O8P (428.08454520000004)
1-(Methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate
Hydroxy ziprasidone
C21H21ClN4O2S (428.10736760000003)
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
(1r,6r,13r)-13-hydroxy-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaen-12-one
2-methoxy-8-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl acetate
(2r)-1-[(1s,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(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
6-(benzoyloxy)-2-[(benzoyloxy)methyl]-2,3-dihydroxyhex-4-en-1-yl acetate
5,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
(2s,3r,4r)-2,3,4-trihydroxy-5-{[4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-methylidene-8h-naphthalen-2-yl]oxy}pentanal
4,12-bis(but-2-en-2-yl)-5-chloro-6-hydroxy-14-methoxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
(10r,11r,15r)-8-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7-trien-12-one
[(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
C21H20N2O6S (428.10420200000004)
(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
6-hydroxy-14-methoxy-10-oxo-12-(2-oxopentyl)-4-propyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
(4r)-4-[(s)-(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methylideneoxolan-2-one
5,7-dihydroxy-2-{3-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]-4-methoxyphenyl}-3,6-dimethoxychromen-4-one
3,7-dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-5,6,4'-trimethoxyflavone
{"Ingredient_id": "HBIN007773","Ingredient_name": "3,7-dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-5,6,4'-trimethoxyflavone","Alias": "NA","Ingredient_formula": "C23H24O8","Ingredient_Smile": "CC(=C)C(CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)OC)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5915","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
beta-peltatin a methyl ether
{"Ingredient_id": "HBIN018226","Ingredient_name": "beta-peltatin a methyl ether","Alias": "\u03b2-peltatin a methyl ether","Ingredient_formula": "C23H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)OC)COC3=O","Ingredient_weight": "428.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30332;16785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "118701100","DrugBank_id": "NA"}
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-4-one
(2r,3r)-3,6,7,11-tetrahydroxy-2-(2-hydroxypropan-2-yl)-9-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
(1s,5s,6r,14r)-5,6-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
(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
1-{2-[(acetyloxy)(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl}-1-oxopropan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s)-2-(5,6-dimethoxy-1-benzofuran-2-yl)-2-hydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
5-[(6,8-dihydroxy-3,5-dimethyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl)methyl]-7,8-dihydroxy-3,7-dimethyl-8h-isochromen-6-one
2,3,12,15,16,17,19-heptahydroxy-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-4,11-dione
C19H24O11 (428.13185539999995)
(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
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexyl acetate
5,7-dihydroxy-2-{3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4-methoxyphenyl}-3,6-dimethoxychromen-4-one
3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one
1,4-dimethyl 2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]butanedioate
[2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]methyl acetate
5,6-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
(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
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
C22H20O7S (428.09296900000004)
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
(2r)-1-[(1s,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
5-[(7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromen-5-yl)methyl]-7,8-dihydroxy-3,7-dimethyl-8h-isochromen-6-one
(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
12-[(2e)-but-2-en-2-yl]-4-[(2z)-but-2-en-2-yl]-5-chloro-6-hydroxy-14-methoxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
(11r,15s)-2-methoxy-8-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
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
8-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7-trien-12-one
2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-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
(1s,5s,6r,14s)-5,6-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
3,7-dihydroxy-2-{3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4-methoxyphenyl}-5,6-dimethoxychromen-4-one
3-(4,7-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid
C19H24O11 (428.13185539999995)
(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
(4s,5s)-5-[7-methoxy-6-(3,4,5-trimethoxyphenyl)-2h-1,3-benzodioxol-5-yl]-4-methyl-3-methylideneoxolan-2-one
(1r,2r,3r,6r,8s,12s,13s,14r,15r,16s,17r,19s)-2,3,12,15,16,17,19-heptahydroxy-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-4,11-dione
C19H24O11 (428.13185539999995)
2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
3-(4,7-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid
C19H24O11 (428.13185539999995)
1-butanoyl-2,4,5,7,8-pentamethoxyanthracene-9,10-dione
(10r,11s,15r)-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
(2r)-1-[(1r,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(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
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
(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
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-4-one
3-acetyl-2,7-dihydroxy-1-methoxy-4,6,11-trioxo-4a,12-dihydro-1h-5-oxatetracene-12a-carboxylic acid
(2s,3r,4z)-6-[(z)-benzoyloxy]-2-{[(z)-benzoyloxy]methyl}-2,3-dihydroxyhex-4-en-1-yl acetate
(3r,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl acetate
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
4,12-bis[(2e)-but-2-en-2-yl]-5-chloro-6-hydroxy-14-methoxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
(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
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
2-(5,6-dimethoxy-1-benzofuran-2-yl)-2-hydroxypropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
6-hydroxy-14-methoxy-10-oxo-4-pentyl-12-propanoyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
1,4-dimethyl (2z,3z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]butanedioate
(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
C22H20O7S (428.09296900000004)