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CHEBI:129163 - 1-[(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:129163
ChEBI Name1-[(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC24H27N3O5S
Net Charge0
Average Mass469.563
Monoisotopic Mass469.16714
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H27N3O5S/c1-16(29)27-15-24(13-26(14-24)33(30,31)18-7-5-4-6-8-18)22-19-10-9-17(32-3)11-20(19)25(2)23(22)21(27)12-28/h4-11,21,28H,12-15H2,1-3H3/t21-/m0/s1
InChIKeyXBXLWFPLHJOTBB-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)
1-[(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:129163) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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