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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:08 UTC
Update Date2025-03-25 01:00:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242712
Frequency0.5
Structure
Chemical FormulaC8H12O7
Molecular Mass220.0583
SMILESCC(=O)C(O)CC(O)(CC(=O)O)C(=O)O
InChI KeyAJCORGBSBNWPQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha hydroxy acids and derivatives
  • alpha-hydroxy ketones
  • branched fatty acids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • fatty acid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • ketone
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound