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CHEBI:125920 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-[oxo(3-pyridinyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:125920
ChEBI Name(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-[oxo(3-pyridinyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC28H26FN5O4
Net Charge0
Average Mass515.545
Monoisotopic Mass515.19688
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C28H26FN5O4/c1-38-20-7-8-21-22(11-20)32-25-23(13-35)34(26(36)17-4-3-9-30-12-17)16-28(24(21)25)14-33(15-28)27(37)31-19-6-2-5-18(29)10-19/h2-12,23,32,35H,13-16H2,1H3,(H,31,37)/t23-/m1/s1
InChIKeyGBUWESMSGGKWQH-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)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-[oxo(3-pyridinyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:125920) is a harmala alkaloid (CHEBI:61379)
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