Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:03 UTC
Update Date2025-03-25 00:57:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222288
Frequency0.5
Structure
Chemical FormulaC7H6Cl2O2
Molecular Mass191.9745
SMILESOCc1ccc(Cl)c(O)c1Cl
InChI KeyCKSSPPRQYVBGKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • aryl chlorides
  • benzyl alcohols
  • halophenols
  • hydrocarbon derivatives
  • o-chlorophenols
  • organochlorides
  • Substituents
  • aromatic alcohol
  • aryl chloride
  • 2-chlorophenol
  • alcohol
  • organochloride
  • benzyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organooxygen compound