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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:21 UTC
Update Date2025-03-25 00:50:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181585
Frequency0.5
Structure
Chemical FormulaC19H20O8
Molecular Mass376.1158
SMILESO=C(O)CCc1c(C2OC(C(=O)O)C(O)C(O)C2O)ccc2ccccc12
InChI KeyVYEYHBHRNRNOMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • naphthalenes
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • beta-hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • naphthalene
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid