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CHEBI:128477 - 1-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone

ChEBI IDCHEBI:128477
ChEBI Name1-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone
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DownloadsMolfile
FormulaC28H34ClN3O3
Net Charge0
Average Mass496.051
Monoisotopic Mass495.22887
SMILESCCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C28H34ClN3O3/c1-3-4-25(34)31-13-11-28(12-14-31)18-32(16-19-5-7-20(29)8-6-19)24(17-33)27-26(28)22-10-9-21(35-2)15-23(22)30-27/h5-10,15,24,30,33H,3-4,11-14,16-18H2,1-2H3/t24-/m0/s1
InChIKeyOHZXSSJFQXFGJA-DEOSSOPVSA-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-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone (CHEBI:128477) is a harmala alkaloid (CHEBI:61379)
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