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CHEBI:128556 - [(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone

ChEBI IDCHEBI:128556
ChEBI Name[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone
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DownloadsMolfile
FormulaC24H26FN3O5S
Net Charge0
Average Mass487.553
Monoisotopic Mass487.15772
SMILESCCS(=O)(=O)N1CC2(CN(C(=O)c3ccc(F)cc3)[C@H](CO)c3nc4cc(OC)ccc4c32)C1
InChIInChI=1S/C24H26FN3O5S/c1-3-34(31,32)27-12-24(13-27)14-28(23(30)15-4-6-16(25)7-5-15)20(11-29)22-21(24)18-9-8-17(33-2)10-19(18)26-22/h4-10,20,26,29H,3,11-14H2,1-2H3/t20-/m1/s1
InChIKeyNSLDSLPHAKJPDW-HXUWFJFHSA-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)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone (CHEBI:128556) is a harmala alkaloid (CHEBI:61379)
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