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CHEBI:129717 - [(1S)-1'-[(2-fluorophenyl)methyl]-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:129717
ChEBI Name[(1S)-1'-[(2-fluorophenyl)methyl]-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H32FN5O4S
Net Charge0
Average Mass553.660
Monoisotopic Mass553.21590
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(S(=O)(=O)c1cn(C)cn1)CC31CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C28H32FN5O4S/c1-32-15-25(30-18-32)39(36,37)34-17-28(9-11-33(12-10-28)14-19-5-3-4-6-22(19)29)26-21-8-7-20(38-2)13-23(21)31-27(26)24(34)16-35/h3-8,13,15,18,24,31,35H,9-12,14,16-17H2,1-2H3/t24-/m1/s1
InChIKeyINKSFZDGSMIVLV-XMMPIXPASA-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)-1'-[(2-fluorophenyl)methyl]-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:129717) is a harmala alkaloid (CHEBI:61379)
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