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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:59 UTC
Update Date2025-03-21 18:37:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117613
Frequency22.3
Structure
Chemical FormulaC7H6Cl2O2
Molecular Mass191.9745
SMILESCOc1cc(Cl)cc(Cl)c1O
InChI KeyRHQIMIYFOSAUQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • o-chlorophenols
  • organochlorides
  • p-chlorophenols
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • organochloride
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • 1,3-dichlorobenzene
  • 4-halophenol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 4-chlorophenol
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • organooxygen compound