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CHEBI:128329 - (1R)-N-(4-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128329
ChEBI Name(1R)-N-(4-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H26F2N4O4
Net Charge0
Average Mass532.547
Monoisotopic Mass532.19221
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C29H26F2N4O4/c1-39-19-10-11-21-23(12-19)33-26-24(13-36)35(28(38)32-18-8-6-17(30)7-9-18)16-29(25(21)26)14-34(15-29)27(37)20-4-2-3-5-22(20)31/h2-12,24,33,36H,13-16H2,1H3,(H,32,38)/t24-/m0/s1
InChIKeyZECSINWKGOCVAW-DEOSSOPVSA-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'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128329) is a harmala alkaloid (CHEBI:61379)
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