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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:45:15 UTC
Update Date2025-03-21 18:00:26 UTC
HMDB IDHMDB0129406
Metabolite Identification
DeepMet IDDMID00027247
Name6-(2H-1,3-benzodioxol-5-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency139.5
Structure
Chemical FormulaC13H14O9
Molecular Mass314.0638
SMILESO=C(O)C1OC(Oc2ccc3c(c2)OCO3)C(O)C(O)C1O
InChI KeyLQHCPUWEYPHYDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • benzodioxoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • benzodioxole
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid