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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:12 UTC
Update Date2025-03-25 00:54:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203996
Frequency0.5
Structure
Chemical FormulaC9H5ClO4
Molecular Mass211.9876
SMILESO=c1cc(O)c2cc(Cl)c(O)cc2o1
InChI KeyCNKIDNRFMZBJKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass hydroxycoumarins
Direct Parent 4-hydroxycoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 7-hydroxycoumarins
  • aryl chlorides
  • benzenoids
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • aryl chloride
  • 4-hydroxycoumarin
  • benzopyran
  • 7-hydroxycoumarin
  • 1-benzopyran
  • organochloride
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • lactone
  • oxacycle
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound