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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:58 UTC
Update Date2025-03-25 00:46:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157927
Frequency0.5
Structure
Chemical FormulaC8H7FO4
Molecular Mass186.0328
SMILESO=C(O)Cc1cc(O)cc(O)c1F
InChI KeyKIYHGJDANYZDAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • carbonyl compounds
  • carboxylic acids
  • fluorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-fluorophenols
  • organic oxides
  • organofluorides
  • p-fluorophenols
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • resorcinol
  • fluorobenzene
  • organic oxide
  • 4-halophenol
  • 4-fluorophenol
  • organofluoride
  • 1-hydroxy-4-unsubstituted benzenoid
  • 2-fluorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound