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CHEBI:128611 - 1-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

ChEBI IDCHEBI:128611
ChEBI Name1-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone
Stars
DownloadsMolfile
FormulaC28H33F2N3O3
Net Charge0
Average Mass497.586
Monoisotopic Mass497.24900
SMILESCCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C28H33F2N3O3/c1-4-25(35)32-11-9-28(10-12-32)17-33(15-18-13-19(29)5-8-22(18)30)24(16-34)27-26(28)21-7-6-20(36-3)14-23(21)31(27)2/h5-8,13-14,24,34H,4,9-12,15-17H2,1-3H3/t24-/m0/s1
InChIKeyFLBAHPSAIBAITD-DEOSSOPVSA-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-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone (CHEBI:128611) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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