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CHEBI:190644 - ethyl 4-{[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino}benzoate

ChEBI IDCHEBI:190644
ChEBI Nameethyl 4-{[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino}benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12F5NO4
Net Charge0
Average Mass389.276
Monoisotopic Mass389.06865
SMILESCCOC(=O)c1ccc(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C17H12F5NO4/c1-2-26-17(25)8-3-5-9(6-4-8)23-10(24)7-27-16-14(21)12(19)11(18)13(20)15(16)22/h3-6H,2,7H2,1H3,(H,23,24)
InChIKeyYPDFNSDXCKZDAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-{[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino}benzoate (CHEBI:190644) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
ethyl 4-[[2-(2,3,4,5,6-pentaluorophenoxy)acetyl]amino]benzoate
Manual XrefsDatabases
2081225ChemSpider