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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:31 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250602
Frequency0.5
Structure
Chemical FormulaC23H30O14
Molecular Mass530.1636
SMILESO=C1CCC(Cc2cccc(OC3OC(COC4C(C(=O)O)OC(O)C(O)C4O)C(O)C(O)C3O)c2)O1
InChI KeyXLPNYBUJADQVJG-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
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • lactone
  • organic oxide
  • acetal
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound