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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:14 UTC
Update Date2025-03-25 01:01:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247665
Frequency0.5
Structure
Chemical FormulaC8H10O7
Molecular Mass218.0427
SMILESO=CC(O)C(O)C(O)C=CC(=O)C(=O)O
InChI KeyOVFSLDCXZRDKNC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass medium-chain keto acids and derivatives
Direct Parent medium-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-hydroxy ketones
  • alpha-hydroxyaldehydes
  • alpha-keto acids and derivatives
  • beta-hydroxy aldehydes
  • carboxylic acids
  • enones
  • fatty alcohols
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • beta-hydroxy aldehyde
  • carboxylic acid
  • monosaccharide
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • fatty alcohol
  • alpha-keto acid
  • hydroxy fatty acid
  • enone
  • alcohol
  • aldehyde
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • medium-chain keto acid