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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:57 UTC
Update Date2025-03-21 18:04:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052664
Frequency61.7
Structure
Chemical FormulaC8H10ClNO2
Molecular Mass187.04
SMILESNCCc1cc(O)c(O)c(Cl)c1
InChI KeyLOHZNVBFLUDIHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent 3-chlorocatechols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • monoalkylamines
  • o-chlorophenols
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • 3-chlorocatechol
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound