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CHEBI:127836 - [(1R)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:127836
ChEBI Name[(1R)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC32H36N4O5
Net Charge0
Average Mass556.663
Monoisotopic Mass556.26857
SMILESCOc1cc(CN2CC3(CCN(C(=O)c4cccnc4)CC3)c3c(nc4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1
InChIInChI=1S/C32H36N4O5/c1-39-23-6-7-26-27(16-23)34-30-28(19-37)36(18-21-13-24(40-2)15-25(14-21)41-3)20-32(29(26)30)8-11-35(12-9-32)31(38)22-5-4-10-33-17-22/h4-7,10,13-17,28,34,37H,8-9,11-12,18-20H2,1-3H3/t28-/m0/s1
InChIKeyZQRBUDCDWAFAJY-NDEPHWFRSA-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)
[(1R)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone (CHEBI:127836) is a harmala alkaloid (CHEBI:61379)
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