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CHEBI:129487 - [(1R)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone

ChEBI IDCHEBI:129487
ChEBI Name[(1R)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone
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DownloadsMolfile
FormulaC25H28FN3O5S
Net Charge0
Average Mass501.580
Monoisotopic Mass501.17337
SMILESCCS(=O)(=O)N1CC2(CN(C(=O)c3ccc(F)cc3)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1
InChIInChI=1S/C25H28FN3O5S/c1-4-35(32,33)28-13-25(14-28)15-29(24(31)16-5-7-17(26)8-6-16)21(12-30)23-22(25)19-10-9-18(34-3)11-20(19)27(23)2/h5-11,21,30H,4,12-15H2,1-3H3/t21-/m0/s1
InChIKeyRVMALAFFYHTCFN-NRFANRHFSA-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)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone (CHEBI:129487) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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