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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:31 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159133
Frequency0.5
Structure
Chemical FormulaC16H11ClO2
Molecular Mass270.0448
SMILESOc1ccc(-c2ccc3cccc(O)c3c2)cc1Cl
InChI KeyPHKJXKUCFJVECO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass phenylnaphthalenes
Direct Parent phenylnaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • naphthols and derivatives
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • 2-halophenol
  • organic oxygen compound
  • phenylnaphthalene
  • phenol
  • hydrocarbon derivative
  • 1-naphthol
  • halobenzene
  • organooxygen compound