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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:13 UTC
Update Date2025-03-25 00:50:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183536
Frequency0.5
Structure
Chemical FormulaC13H9FO4
Molecular Mass248.0485
SMILESO=C(O)c1cc(Oc2ccc(F)cc2)ccc1O
InChI KeyMKNLZENXEKPUIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl fluorides
  • benzoic acids
  • benzoyl derivatives
  • diarylethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • phenol ethers
  • phenoxy compounds
  • salicylic acids
  • vinylogous acids
    • Substituents
  • aryl fluoride
  • diaryl ether
  • phenol ether
  • ether
  • carboxylic acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • fluorobenzene
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organofluoride
  • benzoic acid or derivatives
  • aryl halide
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound