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CHEBI:128849 - cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:128849
ChEBI Namecyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC27H34N4O3S
Net Charge0
Average Mass494.661
Monoisotopic Mass494.23516
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C27H34N4O3S/c1-34-19-6-7-20-21(14-19)29-25-22(16-32)31(15-23-28-10-13-35-23)17-27(24(20)25)8-11-30(12-9-27)26(33)18-4-2-3-5-18/h6-7,10,13-14,18,22,29,32H,2-5,8-9,11-12,15-17H2,1H3/t22-/m0/s1
InChIKeyJCRZWKIDIPEITI-QFIPXVFZSA-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)
cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:128849) is a harmala alkaloid (CHEBI:61379)
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