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CHEBI:127944 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:127944
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-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)Nc1ccc(F)cc1)CC31CN(C(=O)c2ccccn2)C1
InChIInChI=1S/C28H26FN5O4/c1-38-19-9-10-20-22(12-19)32-25-23(13-35)34(27(37)31-18-7-5-17(29)6-8-18)16-28(24(20)25)14-33(15-28)26(36)21-4-2-3-11-30-21/h2-12,23,32,35H,13-16H2,1H3,(H,31,37)/t23-/m0/s1
InChIKeyGATATIFOBUODSE-QHCPKHFHSA-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)
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:127944) is a harmala alkaloid (CHEBI:61379)
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