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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:39 UTC
Update Date2025-03-21 18:04:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00051970
Frequency62.7
Structure
Chemical FormulaC8H7Cl3O2
Molecular Mass239.9512
SMILESOc1ccc(C(O)C(Cl)(Cl)Cl)cc1
InChI KeyBEGKQLRDEXUNOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • aromatic alcohols
  • benzene and substituted derivatives
  • chlorohydrins
  • hydrocarbon derivatives
  • organochlorides
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • chlorohydrin
  • halohydrin
  • alkyl chloride
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound