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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:12 UTC
Update Date2025-03-25 00:48:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169760
Frequency0.5
Structure
Chemical FormulaC10H16O6
Molecular Mass232.0947
SMILESCCOC(=O)C(C)(C)C(O)C(=O)OC(C)=O
InChI KeyJJVPYELMTVIJNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid anhydrides
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • tricarboxylic acid or derivatives
  • hydroxy acid
  • fatty acid ester
  • beta-hydroxy acid
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • carboxylic acid anhydride
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound