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CHEBI:128153 - cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:128153
ChEBI Namecyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC29H34FN3O3
Net Charge0
Average Mass491.607
Monoisotopic Mass491.25842
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C29H34FN3O3/c1-31-24-15-22(36-2)8-9-23(24)26-27(31)25(17-34)33(28(35)20-6-7-20)18-29(26)10-12-32(13-11-29)16-19-4-3-5-21(30)14-19/h3-5,8-9,14-15,20,25,34H,6-7,10-13,16-18H2,1-2H3/t25-/m1/s1
InChIKeyJYNWHADBVHDRHI-RUZDIDTESA-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)
cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:128153) is a harmala alkaloid (CHEBI:61379)
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