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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:18 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172278
Frequency0.5
Structure
Chemical FormulaC12H10O4
Molecular Mass218.0579
SMILESCCC1=C(O)C(=O)c2cc(O)ccc2C1=O
InChI KeyCELSRNWOFXGIFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthoquinones
Direct Parent naphthoquinones
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • quinones
  • vinylogous acids
    • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • ketone
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • naphthoquinone
  • organooxygen compound
  • aryl ketone
  • quinone