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CHEBI:125835 - [(1R)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:125835
ChEBI Name[(1R)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H38N4O2S
Net Charge0
Average Mass494.705
Monoisotopic Mass494.27155
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(CC2CCCC2)CC1
InChIInChI=1S/C28H38N4O2S/c1-30-23-15-21(34-2)7-8-22(23)26-27(30)24(18-33)32(17-25-29-11-14-35-25)19-28(26)9-12-31(13-10-28)16-20-5-3-4-6-20/h7-8,11,14-15,20,24,33H,3-6,9-10,12-13,16-19H2,1-2H3/t24-/m0/s1
InChIKeyUGBPHJATYLNCTN-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)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:125835) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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