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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:21 UTC
Update Date2025-03-25 00:57:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225210
Frequency0.5
Structure
Chemical FormulaC12H10F4O4
Molecular Mass294.0515
SMILESCC(C(=O)O)c1ccc(C(F)(C(=O)O)C(F)(F)F)cc1
InChI KeyHVCKXKABKVRVCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organofluorides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • p-cymene
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • dicarboxylic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid