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CHEBI:128019 - (1S)-N1'-cyclopentyl-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide

ChEBI IDCHEBI:128019
ChEBI Name(1S)-N1'-cyclopentyl-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide
Stars
DownloadsMolfile
FormulaC31H38FN5O4
Net Charge0
Average Mass563.674
Monoisotopic Mass563.29078
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C31H38FN5O4/c1-35-25-17-23(41-2)11-12-24(25)27-28(35)26(18-38)37(30(40)34-22-9-7-20(32)8-10-22)19-31(27)13-15-36(16-14-31)29(39)33-21-5-3-4-6-21/h7-12,17,21,26,38H,3-6,13-16,18-19H2,1-2H3,(H,33,39)(H,34,40)/t26-/m1/s1
InChIKeyKWGXIONTUQXQSV-AREMUKBSSA-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'-cyclopentyl-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide (CHEBI:128019) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39575LINCS