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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:51:06 UTC
Update Date2025-03-21 18:02:55 UTC
HMDB IDHMDB0126116
Metabolite Identification
DeepMet IDDMID00041140
Name3,4,5-trihydroxy-6-[(3-hydroxy-2-methylpropanoyl)oxy]oxane-2-carboxylic acid
Frequency83.7
Structure
Chemical FormulaC10H16O9
Molecular Mass280.0794
SMILESCC(CO)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyAYYJLDGGHMWBGG-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
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative