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CHEBI:129136 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:129136
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILESCOc1ccc(CN2CC3(CN(C(C)=O)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc1
InChIInChI=1S/C26H31N3O4/c1-17(31)29-15-26(16-29)14-28(12-18-5-7-19(32-3)8-6-18)23(13-30)25-24(26)21-10-9-20(33-4)11-22(21)27(25)2/h5-11,23,30H,12-16H2,1-4H3/t23-/m0/s1
InChIKeyKGEFONGMHZUKCP-QHCPKHFHSA-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-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:129136) is a harmala alkaloid (CHEBI:61379)
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