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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:12 UTC
Update Date2025-03-25 00:50:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183501
Frequency0.5
Structure
Chemical FormulaC14H16O9
Molecular Mass328.0794
SMILESO=C(O)c1ccc(OC2C(C(=O)O)OC(CO)C(O)C2O)cc1
InChI KeyCJQVSBPBGMVIJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • benzoyl
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • organic oxide
  • benzoic acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • benzoic acid or derivatives
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound