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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:43 UTC
Update Date2025-03-21 18:07:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068679
Frequency44.1
Structure
Chemical FormulaC8H6Cl2O3
Molecular Mass219.9694
SMILESO=C(O)Cc1cc(Cl)cc(Cl)c1O
InChI KeyNKNKBVVUEYMSAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • p-chlorophenols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • 4-halophenol
  • 2(hydroxyphenyl)acetic acid
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 4-chlorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound