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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:39 UTC
Update Date2025-03-25 00:48:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170789
Frequency0.5
Structure
Chemical FormulaC11H18O8
Molecular Mass278.1002
SMILESCOC1C(C(=O)O)OC(OC(=O)C(C)C)C(O)C1O
InChI KeyXGBJYXONWUFAFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • 1-o-glucuronide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative