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CHEBI:128071 - (1S)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:128071
ChEBI Name(1S)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC31H38N4O5
Net Charge0
Average Mass546.668
Monoisotopic Mass546.28422
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CN(C(=O)C2CCC2)[C@H](CO)c2c3c3ccc(OC)cc3n2C)cc1
InChIInChI=1S/C31H38N4O5/c1-33-25-17-23(40-3)11-12-24(25)27-28(33)26(18-36)35(29(37)20-5-4-6-20)19-31(27)13-15-34(16-14-31)30(38)32-21-7-9-22(39-2)10-8-21/h7-12,17,20,26,36H,4-6,13-16,18-19H2,1-3H3,(H,32,38)/t26-/m1/s1
InChIKeyFCVPSBUWBQZYJZ-AREMUKBSSA-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)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128071) is a harmala alkaloid (CHEBI:61379)
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