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CHEBI:126971 - (1R)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:126971
ChEBI Name(1R)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-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)c1ccc(F)cc1)CC31CN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C30H28F2N4O4/c1-34-24-13-22(40-2)11-12-23(24)26-27(34)25(14-37)36(28(38)18-3-5-19(31)6-4-18)17-30(26)15-35(16-30)29(39)33-21-9-7-20(32)8-10-21/h3-13,25,37H,14-17H2,1-2H3,(H,33,39)/t25-/m0/s1
InChIKeyJPYBKCSNKBZYII-VWLOTQADSA-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)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:126971) is a harmala alkaloid (CHEBI:61379)
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