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CHEBI:125889 - 1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:125889
ChEBI Name1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC25H28ClN3O4
Net Charge0
Average Mass469.969
Monoisotopic Mass469.17683
SMILESCOCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c(nc3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C25H28ClN3O4/c1-32-12-22(31)29-15-25(13-28(14-25)10-16-3-5-17(26)6-4-16)23-19-8-7-18(33-2)9-20(19)27-24(23)21(29)11-30/h3-9,21,27,30H,10-15H2,1-2H3/t21-/m1/s1
InChIKeyBZEIZDCGDFUHRQ-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-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone (CHEBI:125889) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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