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CHEBI:128585 - 1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone

ChEBI IDCHEBI:128585
ChEBI Name1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone
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DownloadsMolfile
FormulaC24H33N3O4
Net Charge0
Average Mass427.545
Monoisotopic Mass427.24711
SMILESCCCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C24H33N3O4/c1-5-6-21(30)26-11-9-24(10-12-26)15-27(16(2)29)20(14-28)23-22(24)18-8-7-17(31-4)13-19(18)25(23)3/h7-8,13,20,28H,5-6,9-12,14-15H2,1-4H3/t20-/m1/s1
InChIKeyLQHPTFMCEXWYJV-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)-2-acetyl-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone (CHEBI:128585) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40139LINCS