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CHEBI:127551 - 1-[(1R)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:127551
ChEBI Name1-[(1R)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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DownloadsMolfile
FormulaC26H28FN3O4
Net Charge0
Average Mass465.525
Monoisotopic Mass465.20638
SMILESCCCC(=O)N1CC2(C1)CN(C(=O)c1ccc(F)cc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H28FN3O4/c1-3-4-22(32)29-13-26(14-29)15-30(25(33)16-5-7-17(27)8-6-16)21(12-31)24-23(26)19-10-9-18(34-2)11-20(19)28-24/h5-11,21,28,31H,3-4,12-15H2,1-2H3/t21-/m0/s1
InChIKeyVYVXGZYSBGMWAY-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)
1-[(1R)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:127551) is a harmala alkaloid (CHEBI:61379)
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