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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:44 UTC
Update Date2025-03-21 18:41:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133461
Frequency18.9
Structure
Chemical FormulaC9H9Cl3O3
Molecular Mass269.9617
SMILESCOc1cc(C(O)C(Cl)(Cl)Cl)ccc1O
InChI KeyUBOSKUTVRJGZLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl chlorides
  • anisoles
  • aromatic alcohols
  • chlorohydrins
  • hydrocarbon derivatives
  • methoxybenzenes
  • organochlorides
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • chlorohydrin
  • alkyl chloride
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • alkyl halide
  • alcohol
  • halohydrin
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound