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CHEBI:127243 - [(1R)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:127243
ChEBI Name[(1R)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H31ClN4O2S
Net Charge0
Average Mass523.102
Monoisotopic Mass522.18562
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CCN(Cc2nccs2)CC1
InChIInChI=1S/C28H31ClN4O2S/c1-35-21-6-7-22-23(14-21)31-27-24(17-34)33(15-19-2-4-20(29)5-3-19)18-28(26(22)27)8-11-32(12-9-28)16-25-30-10-13-36-25/h2-7,10,13-14,24,31,34H,8-9,11-12,15-18H2,1H3/t24-/m0/s1
InChIKeyZKLYAUHYXNYSSM-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)
[(1R)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:127243) is a harmala alkaloid (CHEBI:61379)
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