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CHEBI:129870 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(3-pyridinyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:129870
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(3-pyridinyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC27H33N5O4
Net Charge0
Average Mass491.592
Monoisotopic Mass491.25325
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C27H33N5O4/c1-30(2)15-23(34)31-11-8-27(9-12-31)17-32(26(35)18-5-4-10-28-14-18)22(16-33)25-24(27)20-7-6-19(36-3)13-21(20)29-25/h4-7,10,13-14,22,29,33H,8-9,11-12,15-17H2,1-3H3/t22-/m1/s1
InChIKeyXZKQJEPKKLKDAY-JOCHJYFZSA-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-[oxo(3-pyridinyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:129870) is a harmala alkaloid (CHEBI:61379)
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