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

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ChEBI Name 2-(4-chlorophenyl)-2-oxoethyl 2,6-bis(trifluoromethyl)benzoate
ChEBI ID CHEBI:183498
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H9ClF6O3
Net Charge 0
Average Mass 410.700
Monoisotopic Mass 410.01444
InChI InChI=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
InChIKey DYYHLUTYGWBEDN-UHFFFAOYSA-N
SMILES ClC1=CC=C(C(=O)COC(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)C=C1
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
510471 ChemSpider
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