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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:24 UTC
Update Date2025-03-21 18:38:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118631
Frequency22.0
Structure
Chemical FormulaC8H10ClNO2
Molecular Mass187.04
SMILESNCCc1cc(Cl)c(O)cc1O
InChI KeyRGZALEFAOBLYIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monoalkylamines
  • o-chlorophenols
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • p-chlorophenols
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • monocyclic benzene moiety
  • 4-chlorophenol
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • resorcinol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • 4-halophenol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound