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CHEBI:128796 - [(1S)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1'-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128796
ChEBI Name[(1S)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1'-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC31H36N4O4S
Net Charge0
Average Mass560.720
Monoisotopic Mass560.24573
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CCN(Cc2cccnc2)CC1
InChIInChI=1S/C31H36N4O4S/c1-22-6-9-25(10-7-22)40(37,38)35-21-31(12-15-34(16-13-31)19-23-5-4-14-32-18-23)29-26-11-8-24(39-3)17-27(26)33(2)30(29)28(35)20-36/h4-11,14,17-18,28,36H,12-13,15-16,19-21H2,1-3H3/t28-/m1/s1
InChIKeyDQPBTBBLMJFMME-MUUNZHRXSA-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)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1'-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128796) is a harmala alkaloid (CHEBI:61379)
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