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CHEBI:131086 - 1-[(1S)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone

ChEBI IDCHEBI:131086
ChEBI Name1-[(1S)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone
Stars
DownloadsMolfile
FormulaC26H36N4O4
Net Charge0
Average Mass468.598
Monoisotopic Mass468.27366
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C26H36N4O4/c1-27(2)14-22(32)29-11-9-26(10-12-29)16-30(25(33)17-5-6-17)21(15-31)24-23(26)19-8-7-18(34-4)13-20(19)28(24)3/h7-8,13,17,21,31H,5-6,9-12,14-16H2,1-4H3/t21-/m1/s1
InChIKeyROTOASTVGPRSDO-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)
1-[(1S)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone (CHEBI:131086) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42634LINCS