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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:34 UTC
Update Date2025-03-21 18:40:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130792
Frequency19.4
Structure
Chemical FormulaC11H13ClO2
Molecular Mass212.0604
SMILESCCCCOC(=O)c1ccccc1Cl
InChI KeyYOAQWDULOOZKPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 2-halobenzoic acids and derivatives
  • aryl chlorides
  • benzoyl derivatives
  • carboxylic acid esters
  • chlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • vinylogous halides
    • Substituents
  • aryl chloride
  • chlorobenzene
  • organochloride
  • benzoyl
  • benzoate ester
  • halobenzoic acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • vinylogous halide
  • 2-halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound