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CHEBI:130156 - 1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:130156
ChEBI Name1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC27H32ClN3O4
Net Charge0
Average Mass498.023
Monoisotopic Mass497.20813
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1Cl)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C27H32ClN3O4/c1-34-16-24(33)30-11-9-27(10-12-30)17-31(14-18-5-3-4-6-21(18)28)23(15-32)26-25(27)20-8-7-19(35-2)13-22(20)29-26/h3-8,13,23,29,32H,9-12,14-17H2,1-2H3/t23-/m1/s1
InChIKeyPGTSYWHDAVLXFN-HSZRJFAPSA-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-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone (CHEBI:130156) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41706LINCS