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CHEBI:129287 - (1S)-N-(2-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:129287
ChEBI Name(1S)-N-(2-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC30H28F2N4O4
Net Charge0
Average Mass546.574
Monoisotopic Mass546.20786
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C30H28F2N4O4/c1-34-24-13-18(40-2)11-12-20(24)26-27(34)25(14-37)36(29(39)33-23-10-6-5-9-22(23)32)17-30(26)15-35(16-30)28(38)19-7-3-4-8-21(19)31/h3-13,25,37H,14-17H2,1-2H3,(H,33,39)/t25-/m1/s1
InChIKeyLOOFBMLGKLQMBV-RUZDIDTESA-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-(2-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129287) is a harmala alkaloid (CHEBI:61379)
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