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CHEBI:129620 - (1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:129620
ChEBI Name(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC25H28N4O5
Net Charge0
Average Mass464.522
Monoisotopic Mass464.20597
SMILESCOc1ccc(NC(=O)N2CC3(C2)CN(C(C)=O)[C@H](CO)c2nc4cc(OC)ccc4c23)cc1
InChIInChI=1S/C25H28N4O5/c1-15(31)29-14-25(12-28(13-25)24(32)26-16-4-6-17(33-2)7-5-16)22-19-9-8-18(34-3)10-20(19)27-23(22)21(29)11-30/h4-10,21,27,30H,11-14H2,1-3H3,(H,26,32)/t21-/m1/s1
InChIKeyUIFOPIDNNYHIHJ-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)
(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129620) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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