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CHEBI:127409 - 2-cyclopropyl-1-[(1S)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:127409
ChEBI Name2-cyclopropyl-1-[(1S)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC27H28FN3O4
Net Charge0
Average Mass477.536
Monoisotopic Mass477.20638
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(=O)CC2CC2)C1
InChIInChI=1S/C27H28FN3O4/c1-35-19-7-8-20-21(11-19)29-25-22(12-32)31(26(34)17-3-2-4-18(28)10-17)15-27(24(20)25)13-30(14-27)23(33)9-16-5-6-16/h2-4,7-8,10-11,16,22,29,32H,5-6,9,12-15H2,1H3/t22-/m1/s1
InChIKeyZPEKBTGYWQYABR-JOCHJYFZSA-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-cyclopropyl-1-[(1S)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:127409) is a harmala alkaloid (CHEBI:61379)
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