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CHEBI:183498 - 2-(4-chlorophenyl)-2-oxoethyl 2,6-bis(trifluoromethyl)benzoate

ChEBI IDCHEBI:183498
ChEBI Name2-(4-chlorophenyl)-2-oxoethyl 2,6-bis(trifluoromethyl)benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H9ClF6O3
Net Charge0
Average Mass410.697
Monoisotopic Mass410.01444
SMILESO=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C17H9ClF6O3/c18-10-6-4-9(5-7-10)13(25)8-27-15(26)14-11(16(19,20)21)2-1-3-12(14)17(22,23)24/h1-7H,8H2
InChIKeyDYYHLUTYGWBEDN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
2-(4-chlorophenyl)-2-oxoethyl 2,6-bis(trifluoromethyl)benzoate (CHEBI:183498) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[2-(4-chlorophenyl)-2-oxoethyl] 2,6-bis(triluoromethyl)benzoate
Manual XrefsDatabases
510471ChemSpider