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CHEBI:127969 - [(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(pyridin-4-yl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:127969
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(pyridin-4-yl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
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DownloadsMolfile
FormulaC30H36N4O5
Net Charge0
Average Mass532.641
Monoisotopic Mass532.26857
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C30H36N4O5/c1-32-24-17-22(38-2)3-4-23(24)26-27(32)25(18-35)34(29(37)21-7-15-39-16-8-21)19-30(26)9-13-33(14-10-30)28(36)20-5-11-31-12-6-20/h3-6,11-12,17,21,25,35H,7-10,13-16,18-19H2,1-2H3/t25-/m1/s1
InChIKeyNXAONDQDXIFKOW-RUZDIDTESA-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)
[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(pyridin-4-yl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone (CHEBI:127969) is a harmala alkaloid (CHEBI:61379)
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