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CHEBI:127089 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:127089
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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FormulaC22H32N4O3
Net Charge0
Average Mass400.523
Monoisotopic Mass400.24744
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C)CC31CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-24(2)12-19(28)26-9-7-22(8-10-26)14-25(3)18(13-27)21-20(22)16-6-5-15(29-4)11-17(16)23-21/h5-6,11,18,23,27H,7-10,12-14H2,1-4H3/t18-/m1/s1
InChIKeyJDLNVBUVHOBJMI-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)
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:127089) is a harmala alkaloid (CHEBI:61379)
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