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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:28 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156860
Frequency0.5
Structure
Chemical FormulaC17H10Cl2O3
Molecular Mass332.0007
SMILESO=C(O)c1cccc2ccc(Oc3ccc(Cl)cc3Cl)cc12
InChI KeyOYQKJUURYGZICJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • aryl chlorides
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • organochloride
  • 1-naphthalenecarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • aryl chloride
  • chlorobenzene
  • aromatic homopolycyclic compound
  • aryl halide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • organooxygen compound