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CHEBI:128621 - [(1S)-1'-ethylsulfonyl-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:128621
ChEBI Name[(1S)-1'-ethylsulfonyl-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC19H27N3O4S
Net Charge0
Average Mass393.509
Monoisotopic Mass393.17223
SMILESCCS(=O)(=O)N1CC2(CN(C)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1
InChIInChI=1S/C19H27N3O4S/c1-5-27(24,25)22-11-19(12-22)10-20(2)16(9-23)18-17(19)14-7-6-13(26-4)8-15(14)21(18)3/h6-8,16,23H,5,9-12H2,1-4H3/t16-/m1/s1
InChIKeyQKXFWYIICSVXNI-MRXNPFEDSA-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-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:128621) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40175LINCS