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CHEBI:124970 - 1-[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(2-pyridinyl)ethanone

ChEBI IDCHEBI:124970
ChEBI Name1-[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(2-pyridinyl)ethanone
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DownloadsMolfile
FormulaC24H28N4O5S
Net Charge0
Average Mass484.578
Monoisotopic Mass484.17804
SMILESCCS(=O)(=O)N1CC2(CN(C(=O)Cc3ccccn3)[C@H](CO)c3nc4cc(OC)ccc4c32)C1
InChIInChI=1S/C24H28N4O5S/c1-3-34(31,32)27-13-24(14-27)15-28(21(30)10-16-6-4-5-9-25-16)20(12-29)23-22(24)18-8-7-17(33-2)11-19(18)26-23/h4-9,11,20,26,29H,3,10,12-15H2,1-2H3/t20-/m1/s1
InChIKeyIWRROMMWEPGYPT-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)
1-[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(2-pyridinyl)ethanone (CHEBI:124970) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-36430LINCS