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CHEBI:128527 - 1-[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone

ChEBI IDCHEBI:128527
ChEBI Name1-[(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone
Stars
DownloadsMolfile
FormulaC24H35N3O5S
Net Charge0
Average Mass477.627
Monoisotopic Mass477.22974
SMILESCCCC(=O)N1CC2(CCN(S(=O)(=O)CC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C24H35N3O5S/c1-5-7-21(29)27-16-24(10-12-26(13-11-24)33(30,31)6-2)22-18-9-8-17(32-4)14-19(18)25(3)23(22)20(27)15-28/h8-9,14,20,28H,5-7,10-13,15-16H2,1-4H3/t20-/m1/s1
InChIKeyMJMXLJSDDFUPOG-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-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone (CHEBI:128527) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40081LINCS