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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:22 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177089
Frequency0.5
Structure
Chemical FormulaC10H11ClO
Molecular Mass182.0498
SMILESC=C(C)Cc1ccc(O)c(Cl)c1
InChI KeyKEZJGTGWYIPZRH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • phenylpropane
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound