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CHEBI:127153 - 1,3-benzodioxol-5-yl-[(1S)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:127153
ChEBI Name1,3-benzodioxol-5-yl-[(1S)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
Stars
DownloadsMolfile
FormulaC27H31N3O5
Net Charge0
Average Mass477.561
Monoisotopic Mass477.22637
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H31N3O5/c1-28-15-27(24-19-6-5-18(33-3)13-20(19)29(2)25(24)21(28)14-31)8-10-30(11-9-27)26(32)17-4-7-22-23(12-17)35-16-34-22/h4-7,12-13,21,31H,8-11,14-16H2,1-3H3/t21-/m1/s1
InChIKeyIHWMEUKCKGKLIQ-OAQYLSRUSA-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)
1,3-benzodioxol-5-yl-[(1S)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:127153) is a harmala alkaloid (CHEBI:61379)
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