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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:22 UTC
Update Date2025-03-21 17:58:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00011680
Frequency394.3
Structure
Chemical FormulaC9H9ClO3
Molecular Mass200.024
SMILESO=C(O)CCc1ccc(O)c(Cl)c1
InChI KeyWCFMGDDKGCCBRK-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic oxides
  • organochlorides
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound