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CHEBI:229910 - befloxatone

ChEBI IDCHEBI:229910
ChEBI Namebefloxatone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18F3NO5
Net Charge0
Average Mass349.305
Monoisotopic Mass349.11371
SMILESCOC[C@H]1CN(c2ccc(OCC[C@@H](O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
InChIKeyIALVDLPLCLFBCF-CHWSQXEVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
befloxatone (CHEBI:229910) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(5R)-5-(methoxymethyl)-3-[4-[(3R)-4,4,4-triluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
Manual XrefsDatabases
D02563KEGG DRUG
54811ChemSpider