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CHEBI:126509 - [(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:126509
ChEBI Name[(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC31H36N4O3
Net Charge0
Average Mass512.654
Monoisotopic Mass512.27874
SMILESCOc1cccc(CN2CC3(CCN(Cc4ccccn4)CC3)c3c(nc4cc(OC)ccc34)[C@H]2CO)c1
InChIInChI=1S/C31H36N4O3/c1-37-24-8-5-6-22(16-24)18-35-21-31(11-14-34(15-12-31)19-23-7-3-4-13-32-23)29-26-10-9-25(38-2)17-27(26)33-30(29)28(35)20-36/h3-10,13,16-17,28,33,36H,11-12,14-15,18-21H2,1-2H3/t28-/m1/s1
InChIKeyDUCDUSXLFYQTSN-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-2-[(3-methoxyphenyl)methyl]-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126509) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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