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CHEBI:126526 - [(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone

ChEBI IDCHEBI:126526
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone
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DownloadsMolfile
FormulaC25H29N3O3
Net Charge0
Average Mass419.525
Monoisotopic Mass419.22089
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CCN(C)CC1
InChIInChI=1S/C25H29N3O3/c1-27-12-10-25(11-13-27)16-28(24(30)17-6-4-3-5-7-17)21(15-29)23-22(25)19-9-8-18(31-2)14-20(19)26-23/h3-9,14,21,26,29H,10-13,15-16H2,1-2H3/t21-/m1/s1
InChIKeyGSJQWIMRHZMSNH-OAQYLSRUSA-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-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone (CHEBI:126526) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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