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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:28 UTC
Update Date2025-03-25 01:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250467
Frequency0.5
Structure
Chemical FormulaC10H9ClO2
Molecular Mass196.0291
SMILESO=C1CCCc2cc(O)c(Cl)cc21
InChI KeyXUGNXUBWEFUAAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • aryl chlorides
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • tetralin
  • aryl alkyl ketone
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • ketone
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone