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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:42 UTC
Update Date2025-03-25 00:50:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182404
Frequency0.5
Structure
Chemical FormulaC13H12O5
Molecular Mass248.0685
SMILESOC1c2cc3c(cc2C2C=COC2C1O)OCO3
InChI KeyHLVCCVPNZYUNGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthofurans
Subclass naphthofurans
Direct Parent naphthofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • benzodioxoles
  • dihydrofurans
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetralins
    • Substituents
  • alcohol
  • tetralin
  • naphthofuran
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole
  • 1,2-diol
  • dihydrofuran