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CHEBI:129363 - (1S)-N2-cyclopentyl-N1'-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide

ChEBI IDCHEBI:129363
ChEBI Name(1S)-N2-cyclopentyl-N1'-(3-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
FormulaC28H32FN5O4
Net Charge0
Average Mass521.593
Monoisotopic Mass521.24383
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)NC1CCCC1)CC31CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C28H32FN5O4/c1-38-20-9-10-21-22(12-20)32-25-23(13-35)34(27(37)30-18-6-2-3-7-18)16-28(24(21)25)14-33(15-28)26(36)31-19-8-4-5-17(29)11-19/h4-5,8-12,18,23,32,35H,2-3,6-7,13-16H2,1H3,(H,30,37)(H,31,36)/t23-/m1/s1
InChIKeyANRYTLFYRFEVIA-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)-N2-cyclopentyl-N1'-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide (CHEBI:129363) is a harmala alkaloid (CHEBI:61379)
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