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CHEBI:126219 - [(1S)-2-[(3,5-dimethoxyphenyl)methyl]-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:126219
ChEBI Name[(1S)-2-[(3,5-dimethoxyphenyl)methyl]-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC30H32FN3O6S
Net Charge0
Average Mass581.666
Monoisotopic Mass581.19958
SMILESCOc1cc(CN2CC3(CN(S(=O)(=O)c4cccc(F)c4)C3)c3c(nc4cc(OC)ccc34)[C@H]2CO)cc(OC)c1
InChIInChI=1S/C30H32FN3O6S/c1-38-21-7-8-25-26(13-21)32-29-27(15-35)33(14-19-9-22(39-2)12-23(10-19)40-3)16-30(28(25)29)17-34(18-30)41(36,37)24-6-4-5-20(31)11-24/h4-13,27,32,35H,14-18H2,1-3H3/t27-/m1/s1
InChIKeyPJTCBMBXODRCAF-HHHXNRCGSA-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-[(3,5-dimethoxyphenyl)methyl]-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:126219) is a harmala alkaloid (CHEBI:61379)
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