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CHEBI:127796 - (3-fluorophenyl)-[(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:127796
ChEBI Name(3-fluorophenyl)-[(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC30H27F2N3O4
Net Charge0
Average Mass531.559
Monoisotopic Mass531.19696
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C30H27F2N3O4/c1-33-24-13-22(39-2)9-10-23(24)26-27(33)25(14-36)35(29(38)19-6-4-8-21(32)12-19)17-30(26)15-34(16-30)28(37)18-5-3-7-20(31)11-18/h3-13,25,36H,14-17H2,1-2H3/t25-/m0/s1
InChIKeyFZZVJYUQJZUIOK-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)
(3-fluorophenyl)-[(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:127796) is a harmala alkaloid (CHEBI:61379)
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