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CHEBI:129124 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone

ChEBI IDCHEBI:129124
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone
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DownloadsMolfile
FormulaC22H31N3O3
Net Charge0
Average Mass385.508
Monoisotopic Mass385.23654
SMILESCCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C22H31N3O3/c1-4-5-19(27)25-10-8-22(9-11-25)14-23-17(13-26)21-20(22)16-7-6-15(28-3)12-18(16)24(21)2/h6-7,12,17,23,26H,4-5,8-11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyUFJVLZSNHFFKDT-QGZVFWFLSA-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-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone (CHEBI:129124) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40675LINCS