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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:25 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158921
Frequency0.5
Structure
Chemical FormulaC14H8Cl2O
Molecular Mass261.9952
SMILESOc1cccc2ccc3cc(Cl)c(Cl)cc3c12
InChI KeyYHPMDKHCSXRJSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrols
Direct Parent phenanthrols
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • chloronaphthalenes
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organochlorides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • organochloride
  • phenanthrol
  • chloronaphthalene
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • naphthalene
  • organic oxygen compound
  • hydrocarbon derivative
  • 1-naphthol
  • organooxygen compound