Exact Mass: 457.1008914
Exact Mass Matches: 457.1008914
Found 68 metabolites which its exact mass value is equals to given mass value 457.1008914,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-(8-amino-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphono-D-ribitol
C16H20N5O9P (457.0998600000001)
Evotopin
C23H23N3O5.HCl (457.14044040000005)
Topotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin with antineoplastic activity. During the S phase of the cell cycle, topotecan selectively stabilizes topoisomerase I-DNA covalent complexes, inhibiting religation of topoisomerase I-mediated single-strand DNA breaks and producing potentially lethal double-strand DNA breaks when complexes are encountered by the DNA replication machinery. Camptothecin is a cytotoxic quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I. See also: Topotecan (has active moiety). C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
N-(4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl)-4-(beta-D-glucopyranosyloxy)benzamide
6-Oxocamphor
C23H24ClN3O5 (457.14044040000005)
6-oxocamphor, also known as topotecan or hycamtin, is a member of the class of compounds known as camptothecins. Camptothecins are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring). 6-oxocamphor can be found in common sage, which makes 6-oxocamphor a potential biomarker for the consumption of this food product. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
CDP-N-methylethanolamine
C12H19N4O11P2 (457.05255439999996)
Cdp-n-methylethanolamine is soluble (in water) and a moderately acidic compound (based on its pKa). Cdp-n-methylethanolamine can be found in a number of food items such as cloudberry, jostaberry, wax gourd, and mexican oregano, which makes cdp-n-methylethanolamine a potential biomarker for the consumption of these food products.
aristolactam Ia N-beta-D-glucopyranoside|aristolactam Ia N-beta-D-glucoside
SC-51322
C22H20ClN3O4S (457.0862990000001)
Topotecan Hcl
C23H24ClN3O5 (457.14044040000005)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
Ingliforib
C23H24ClN3O5 (457.14044040000005)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4688; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4213; ORIGINAL_PRECURSOR_SCAN_NO 4211 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4706; ORIGINAL_PRECURSOR_SCAN_NO 4704 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4782; ORIGINAL_PRECURSOR_SCAN_NO 4781 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4692; ORIGINAL_PRECURSOR_SCAN_NO 4691 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9074 INTERNAL_ID 310; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9074 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9039; ORIGINAL_PRECURSOR_SCAN_NO 9036 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9056; ORIGINAL_PRECURSOR_SCAN_NO 9053 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9130 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9091; ORIGINAL_PRECURSOR_SCAN_NO 9086 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9148; ORIGINAL_PRECURSOR_SCAN_NO 9144
Trp-Met-OH
C22H23N3O6S (457.13074980000005)
ammonium pentaborate octahydrate
B5H20NO23-------------- (457.08913600000005)
6-nitrooxyhexyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
C27H23NO4S (457.13477180000007)
Methyl-[E]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)-ethenyl]-phenyl] -3-hydroxy propyl]-benzoate
C28H24ClNO3 (457.14446240000007)
Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
C28H24ClNO3 (457.14446240000007)
[4-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)carbamoyl]phenyl] benzoate
C28H21F2NO3 (457.14894200000003)
3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione
C22H21Cl2N5S (457.08946460000004)
BOC-THIONOSER(BZL)-1-(6-NITRO)BENZOTRIAZOLIDE
C21H23N5O5S (457.14198280000005)
Fmoc-(R)-3-Amino-4-(3-benzothienyl)-butyric acid
C27H23NO4S (457.13477180000007)
Ponazuril
C18H14F3N3O6S (457.05553800000007)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
ethyl 3,4-dihydro-<<5-(methylsulfonyl)benzothiazol-2-yl>methyl>-4-oxo-1-phthalazineacetate
C21H19N3O5S2 (457.07660840000005)
5-[5,6-Bis(Methyloxy)-1h-Benzimidazol-1-Yl]-3-{[1-(2-Chlorophenyl)ethyl]oxy}-2-Thiophenecarboxamide
C22H20ClN3O4S (457.0862990000001)
5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide
C23H24ClN3O5 (457.14044040000005)
3-[5-[(3,4-Dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
C20H19N5O4S2 (457.08784140000006)
(2R)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL
(2S)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-)
4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-)
alisiaquninone C
C23H23NO7S (457.11951680000004)
An organic heterohexacyclic compound that is isolated from New Caledonian deep water sponge and exhibits antiplasmodial properties.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-)
2-[(4-Bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile
C21H20BrN3O4 (457.06371000000007)
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
C18H23N3O5S3 (457.07997880000005)
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
C22H20ClN3O4S (457.0862990000001)
N-[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(4-chlorophenyl)acetamide
C23H21Cl2N3O3 (457.09598960000005)
ethyl 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
C23H24ClN3O5 (457.14044040000005)
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-beta-D-galactopyranose(2-)
2,5-Dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
C23H27N3O3S2 (457.14937520000007)
(6E)-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C20H19N5O4S2 (457.08784140000006)
Foliglurax (monohydrochloride)
C23H24ClN3O3S (457.12268240000003)
Foliglurax monohydrochloride (PXT002331 monohydrochloride) is a highly selective and potent, brain-penetrant metabotropic glutamate receptor 4 positive allosteric modulator (mGluR4 PAM) , with an EC50 of 79 nM[1]. Antiparkinsonian effect[1].
n-[10,10-dichloro-2-(6,6-dichlorohexyl)-1-methoxy-1-oxodec-9-en-7-yn-3-yl]ethanimidic acid
aristolactam aiiian-β-d-glucoside
{"Ingredient_id": "HBIN016763","Ingredient_name": "aristolactam aiiian-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C22H19NO10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1694","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}