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CHEBI:131126 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:131126
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC25H30N4O3
Net Charge0
Average Mass434.540
Monoisotopic Mass434.23179
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(C(C)=O)CC1
InChIInChI=1S/C25H30N4O3/c1-17(31)28-11-8-25(9-12-28)16-29(14-18-5-3-4-10-26-18)22(15-30)24-23(25)20-7-6-19(32-2)13-21(20)27-24/h3-7,10,13,22,27,30H,8-9,11-12,14-16H2,1-2H3/t22-/m0/s1
InChIKeyXCYLFIMMFVLLSC-QFIPXVFZSA-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-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:131126) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42674LINCS