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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:30 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204680
Frequency0.5
Structure
Chemical FormulaC12H6O5
Molecular Mass230.0215
SMILESO=C1OC(=O)c2c1ccc1c(O)cc(O)cc21
InChI KeyPJWLQXWGDFUHIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthofurans
Subclass naphthofurans
Direct Parent naphthofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • carboxylic acid anhydrides
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • isobenzofuranones
  • lactones
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • phthalic anhydrides
    • Substituents
  • benzofuranone
  • naphthofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • phthalic anhydride
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • isobenzofuranone
  • isocoumaran
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid anhydride
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1-naphthol
  • benzenoid
  • 2-naphthol
  • organooxygen compound
  • phthalic_anhydride