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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:49 UTC
Update Date2025-03-21 18:40:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131395
Frequency19.3
Structure
Chemical FormulaC9H7FO4
Molecular Mass198.0328
SMILESO=C(O)C(=O)Cc1ccc(O)c(F)c1
InChI KeyNWECNYRARWAHCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpyruvic acid derivatives
Direct Parent phenylpyruvic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • aryl fluorides
  • carboxylic acids
  • fluorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-fluorophenols
  • organic oxides
  • organofluorides
  • phenylpropanoic acids
    • Substituents
  • aryl fluoride
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • organohalogen compound
  • ketone
  • fluorobenzene
  • organic oxide
  • alpha-keto acid
  • phenylpyruvate
  • organofluoride
  • 2-fluorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound