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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:38 UTC
Update Date2025-03-21 18:31:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085271
Frequency33.5
Structure
Chemical FormulaC7H12O7
Molecular Mass208.0583
SMILESO=C(O)C(CC(O)C(O)CO)C(=O)O
InChI KeyPZCNACMWAKOTRL-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
  • 1,3-dicarbonyl compounds
  • branched fatty acids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • 1,3-dicarbonyl compound
  • primary alcohol
  • organooxygen compound