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CHEBI:129665 - (1S)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide

ChEBI IDCHEBI:129665
ChEBI Name(1S)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide
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DownloadsMolfile
FormulaC30H28FN5O6
Net Charge0
Average Mass573.581
Monoisotopic Mass573.20236
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C30H28FN5O6/c1-40-20-7-8-21-22(11-20)34-27-23(12-37)36(29(39)32-18-4-2-17(31)3-5-18)15-30(26(21)27)13-35(14-30)28(38)33-19-6-9-24-25(10-19)42-16-41-24/h2-11,23,34,37H,12-16H2,1H3,(H,32,39)(H,33,38)/t23-/m1/s1
InChIKeyMKCVBDBEIVTPQG-HSZRJFAPSA-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)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide (CHEBI:129665) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41216LINCS