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CHEBI:130566 - 1-[(1S)-1'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

ChEBI IDCHEBI:130566
ChEBI Name1-[(1S)-1'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone
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DownloadsMolfile
FormulaC27H32ClN3O3
Net Charge0
Average Mass482.024
Monoisotopic Mass481.21322
SMILESCCC(=O)N1CC2(CCN(Cc3ccccc3Cl)CC2)c2c(nc3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C27H32ClN3O3/c1-3-24(33)31-17-27(10-12-30(13-11-27)15-18-6-4-5-7-21(18)28)25-20-9-8-19(34-2)14-22(20)29-26(25)23(31)16-32/h4-9,14,23,29,32H,3,10-13,15-17H2,1-2H3/t23-/m1/s1
InChIKeyOHNLIOCTEKXPSN-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)-1'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone (CHEBI:130566) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42115LINCS