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CHEBI:127326 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:127326
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC25H36N4O4
Net Charge0
Average Mass456.587
Monoisotopic Mass456.27366
SMILESCCCN1CC2(C1)CN(C(=O)CN1CCOCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C25H36N4O4/c1-4-7-28-15-25(16-28)17-29(22(31)13-27-8-10-33-11-9-27)21(14-30)24-23(25)19-6-5-18(32-3)12-20(19)26(24)2/h5-6,12,21,30H,4,7-11,13-17H2,1-3H3/t21-/m1/s1
InChIKeyHIPSJZYQFKBJPS-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-9-methyl-1'-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:127326) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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