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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:15 UTC
Update Date2025-03-25 00:50:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181397
Frequency0.5
Structure
Chemical FormulaC10H7F3O5
Molecular Mass264.0246
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1C(=O)O
InChI KeyQAQHQRSHHFQWME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxyacetic acid derivatives
Direct Parent phenoxyacetic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alkyl aryl ethers
  • alkyl fluorides
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • phenol ethers
  • phenoxy compounds
  • trifluoromethylbenzenes
    • Substituents
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • benzoyl
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • alkyl halide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • trifluoromethylbenzene
  • alkyl fluoride
  • organofluoride
  • benzoic acid or derivatives
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound