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CHEBI:129132 - [(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone

ChEBI IDCHEBI:129132
ChEBI Name[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone
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DownloadsMolfile
FormulaC27H32FN3O5S
Net Charge0
Average Mass529.634
Monoisotopic Mass529.20467
SMILESCCS(=O)(=O)N1CCC2(CC1)CN(C(=O)c1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C27H32FN3O5S/c1-4-37(34,35)30-12-10-27(11-13-30)17-31(26(33)18-6-5-7-19(28)14-18)23(16-32)25-24(27)21-9-8-20(36-3)15-22(21)29(25)2/h5-9,14-15,23,32H,4,10-13,16-17H2,1-3H3/t23-/m1/s1
InChIKeyVPMUVHDMQJJSFN-HSZRJFAPSA-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-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone (CHEBI:129132) is a harmala alkaloid (CHEBI:61379)
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