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CHEBI:128784 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128784
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC27H29FN6O5S
Net Charge0
Average Mass568.631
Monoisotopic Mass568.19042
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C27H29FN6O5S/c1-31-11-23(29-16-31)40(37,38)33-13-27(14-33)15-34(26(36)30-18-6-4-17(28)5-7-18)22(12-35)25-24(27)20-9-8-19(39-3)10-21(20)32(25)2/h4-11,16,22,35H,12-15H2,1-3H3,(H,30,36)/t22-/m1/s1
InChIKeyGSFSHJGWCPBMNU-JOCHJYFZSA-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-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128784) is a harmala alkaloid (CHEBI:61379)
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