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

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ChEBI Name 2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid
ChEBI ID CHEBI:171694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H5F6NO2
Net Charge 0
Average Mass 309.167
Monoisotopic Mass 309.02245
InChI InChI=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)
InChIKey QJTJIQBSZLFWFS-UHFFFAOYSA-N
SMILES FC(F)(F)C=1C=2N=C(C=C(C2C=CC1)C(O)=O)C(F)(F)F
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
148424 ChemSpider
HMDB0060726 HMDB
View more database links
Registry Number Type Source
35853-50-0 CAS Registry Number ChemIDplus