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CHEBI:131099 - 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:131099
ChEBI Name2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC26H35N5O3S
Net Charge0
Average Mass497.665
Monoisotopic Mass497.24606
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C26H35N5O3S/c1-28(2)15-23(33)30-10-7-26(8-11-30)17-31(14-22-27-9-12-35-22)21(16-32)25-24(26)19-6-5-18(34-4)13-20(19)29(25)3/h5-6,9,12-13,21,32H,7-8,10-11,14-17H2,1-4H3/t21-/m0/s1
InChIKeyYUHBREGIJPWXHQ-NRFANRHFSA-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)
2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:131099) is a harmala alkaloid (CHEBI:61379)
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