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CHEBI:131027 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:131027
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC30H30FN5O4
Net Charge0
Average Mass543.599
Monoisotopic Mass543.22818
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C30H30FN5O4/c1-40-21-9-10-22-24(16-21)34-27-25(17-37)36(29(39)33-20-7-5-19(31)6-8-20)18-30(26(22)27)11-14-35(15-12-30)28(38)23-4-2-3-13-32-23/h2-10,13,16,25,34,37H,11-12,14-15,17-18H2,1H3,(H,33,39)/t25-/m1/s1
InChIKeyVVMXCBAVFRMIBD-RUZDIDTESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:131027) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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