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CHEBI:127068 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:127068
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC25H36N4O4
Net Charge0
Average Mass456.587
Monoisotopic Mass456.27366
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C25H36N4O4/c1-26-17-25(6-8-29(9-7-25)22(31)15-28-10-12-33-13-11-28)23-19-5-4-18(32-3)14-20(19)27(2)24(23)21(26)16-30/h4-5,14,21,30H,6-13,15-17H2,1-3H3/t21-/m0/s1
InChIKeyOLHQRLGGPBINSV-NRFANRHFSA-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-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:127068) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38631LINCS