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CHEBI:130164 - [(1R)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130164
ChEBI Name[(1R)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H32N4O4S2
Net Charge0
Average Mass552.722
Monoisotopic Mass552.18650
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CCN(Cc2nccs2)CC1
InChIInChI=1S/C28H32N4O4S2/c1-19-3-6-21(7-4-19)38(34,35)32-18-28(9-12-31(13-10-28)16-25-29-11-14-37-25)26-22-8-5-20(36-2)15-23(22)30-27(26)24(32)17-33/h3-8,11,14-15,24,30,33H,9-10,12-13,16-18H2,1-2H3/t24-/m0/s1
InChIKeyHHICFGIPIZLVAV-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)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130164) is a harmala alkaloid (CHEBI:61379)
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