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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:24 UTC
Update Date2025-03-25 00:54:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209076
Frequency0.5
Structure
Chemical FormulaC13H22O10
Molecular Mass338.1213
SMILESCC(C)C(=O)OC1(C(=O)O)CC(O)C(O)C(C(O)C(O)CO)O1
InChI KeyGGKHMOZKRRFBTA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative