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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:40 UTC
Update Date2025-03-25 01:00:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241647
Frequency0.5
Structure
Chemical FormulaC11H11FO5
Molecular Mass242.0591
SMILESCC(F)(Oc1cccc(CC(=O)O)c1)C(=O)O
InChI KeyYZWBJGOMJTWDEL-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
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound