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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 IDDMID02204682
Frequency0.5
Structure
Chemical FormulaC16H16O12
Molecular Mass400.0642
SMILESO=C1OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)Cc2cc(O)c(O)cc21
InChI KeyRFJYXTGVEQQXIJ-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • acetals
  • benzenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • isochromane
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • carboxylic acid ester
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid