CHEBI:229910 - befloxatone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name befloxatone
ChEBI ID CHEBI:229910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18F3NO5
Net Charge 0
Average Mass 349.306
Monoisotopic Mass 349.11371
InChI InChI=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
InChIKey IALVDLPLCLFBCF-CHWSQXEVSA-N
SMILES FC(F)(F)[C@H](O)CCOC1=CC=C(N2C[C@@H](OC2=O)COC)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
54811 ChemSpider
D02563 KEGG DRUG
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