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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:46 UTC
Update Date2025-03-25 00:50:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180272
Frequency0.5
Structure
Chemical FormulaC10H11ClO2
Molecular Mass198.0448
SMILESCc1cc(C(C)C(=O)O)ccc1Cl
InChI KeyGDVGDBOJTAYSPF-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
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • toluenes
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • toluene
  • organooxygen compound