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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:30 UTC
Update Date2025-03-25 00:56:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221044
Frequency0.5
Structure
Chemical FormulaC14H14O9
Molecular Mass326.0638
SMILESO=C(O)c1cccc(C2OC(C(=O)O)C(O)C(O)C2O)c(=O)c1
InChI KeyULQSZZSELBPBHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic ketones
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tropones
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • monosaccharide
  • cyclic ketone
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • beta-hydroxy acid
  • organic oxide
  • oxane
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • tropone
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative