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CHEBI:171694 - 2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid

ChEBI IDCHEBI:171694
ChEBI Name2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H5F6NO2
Net Charge0
Average Mass309.165
Monoisotopic Mass309.02245
SMILESO=C(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H5F6NO2/c13-11(14,15)7-3-1-2-5-6(10(20)21)4-8(12(16,17)18)19-9(5)7/h1-4H,(H,20,21)
InChIKeyQJTJIQBSZLFWFS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid (CHEBI:171694) is a quinolines (CHEBI:26513)
IUPAC Name 
2,8-bis(triluoromethyl)quinoline-4-carboxylic acid
Manual XrefsDatabases
HMDB0060726HMDB
148424ChemSpider
Registry NumbersSources
CAS:35853-50-0ChemIDplus