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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:33 UTC
Update Date2025-03-25 01:01:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252905
Frequency0.5
Structure
Chemical FormulaC9H8Cl2O4
Molecular Mass249.98
SMILESO=C(O)C(O)Cc1cc(Cl)cc(Cl)c1O
InChI KeyMAKBYAXFWKJZKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • p-chlorophenols
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • organochloride
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • 4-halophenol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • 4-chlorophenol
  • hydroxy acid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound