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CHEBI:130037 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(3-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:130037
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(3-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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DownloadsMolfile
FormulaC25H30N4O3
Net Charge0
Average Mass434.540
Monoisotopic Mass434.23179
SMILESCCCC(=O)N1CC2(C1)CN(Cc1cccnc1)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C25H30N4O3/c1-3-5-22(31)29-15-25(16-29)14-28(12-17-6-4-9-26-11-17)21(13-30)24-23(25)19-8-7-18(32-2)10-20(19)27-24/h4,6-11,21,27,30H,3,5,12-16H2,1-2H3/t21-/m1/s1
InChIKeyOIZGWIYJEQNSEA-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-(hydroxymethyl)-7-methoxy-2-(3-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:130037) is a harmala alkaloid (CHEBI:61379)
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