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CHEBI:127995 - [(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone

ChEBI IDCHEBI:127995
ChEBI Name[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone
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DownloadsMolfile
FormulaC29H34FN3O3
Net Charge0
Average Mass491.607
Monoisotopic Mass491.25842
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C29H34FN3O3/c1-31-24-15-22(36-2)8-9-23(24)26-27(31)25(17-34)33(16-19-6-7-19)18-29(26)10-12-32(13-11-29)28(35)20-4-3-5-21(30)14-20/h3-5,8-9,14-15,19,25,34H,6-7,10-13,16-18H2,1-2H3/t25-/m1/s1
InChIKeyTZHJGUQDTJYVOJ-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)
[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-fluorophenyl)methanone (CHEBI:127995) is a harmala alkaloid (CHEBI:61379)
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