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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:28 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204620
Frequency0.5
Structure
Chemical FormulaC13H12O6
Molecular Mass264.0634
SMILESO=C1OCC2OC(c3ccc4c(c3)OCO4)C(O)C12
InChI KeyYUNQYUFFIJPJIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • furofurans
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • benzodioxole
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound