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CHEBI:130974 - 1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:130974
ChEBI Name1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC21H27N3O4
Net Charge0
Average Mass385.464
Monoisotopic Mass385.20016
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(C)=O)CC1
InChIInChI=1S/C21H27N3O4/c1-13(26)23-8-6-21(7-9-23)12-24(14(2)27)18(11-25)20-19(21)16-5-4-15(28-3)10-17(16)22-20/h4-5,10,18,22,25H,6-9,11-12H2,1-3H3/t18-/m1/s1
InChIKeyKSUCOPAQSITWKT-GOSISDBHSA-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)
1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:130974) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42522LINCS