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CHEBI:130787 - 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(3-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:130787
ChEBI Name2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(3-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC27H35N5O3
Net Charge0
Average Mass477.609
Monoisotopic Mass477.27399
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C27H35N5O3/c1-30(2)16-24(34)31-11-8-27(9-12-31)18-32(15-19-5-4-10-28-14-19)23(17-33)26-25(27)21-7-6-20(35-3)13-22(21)29-26/h4-7,10,13-14,23,29,33H,8-9,11-12,15-18H2,1-3H3/t23-/m0/s1
InChIKeyLLJGYIGREYFTNE-QHCPKHFHSA-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-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(3-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:130787) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42336LINCS