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CHEBI:130811 - [(1S)-2-[(2,5-difluorophenyl)methyl]-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130811
ChEBI Name[(1S)-2-[(2,5-difluorophenyl)methyl]-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC25H29F2N3O4S
Net Charge0
Average Mass505.587
Monoisotopic Mass505.18468
SMILESCCS(=O)(=O)N1CC2(CN(Cc3cc(F)ccc3F)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1
InChIInChI=1S/C25H29F2N3O4S/c1-4-35(32,33)30-14-25(15-30)13-29(11-16-9-17(26)5-8-20(16)27)22(12-31)24-23(25)19-7-6-18(34-3)10-21(19)28(24)2/h5-10,22,31H,4,11-15H2,1-3H3/t22-/m1/s1
InChIKeyHDQJTJFVSRJGIK-JOCHJYFZSA-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)-2-[(2,5-difluorophenyl)methyl]-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130811) is a harmala alkaloid (CHEBI:61379)
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