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CHEBI:128074 - [(1R)-7-methoxy-1'-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128074
ChEBI Name[(1R)-7-methoxy-1'-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC30H34N4O5S
Net Charge0
Average Mass562.692
Monoisotopic Mass562.22499
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CN(Cc2ccncc2)[C@@H](CO)c2nc4cc(OC)ccc4c23)cc1
InChIInChI=1S/C30H34N4O5S/c1-38-22-3-6-24(7-4-22)40(36,37)34-15-11-30(12-16-34)20-33(18-21-9-13-31-14-10-21)27(19-35)29-28(30)25-8-5-23(39-2)17-26(25)32-29/h3-10,13-14,17,27,32,35H,11-12,15-16,18-20H2,1-2H3/t27-/m0/s1
InChIKeyVFONSUMSWCNAHP-MHZLTWQESA-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)
[(1R)-7-methoxy-1'-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128074) is a harmala alkaloid (CHEBI:61379)
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