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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:25 UTC
Update Date2025-03-25 00:45:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152086
Frequency0.5
Structure
Chemical FormulaC12H20O4
Molecular Mass228.1362
SMILESC=CCCCCCCCC(=O)C(O)C(=O)O
InChI KeyROHWFKAEJOYZCT-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
  • 1,3-dicarbonyl compounds
  • acyloins
  • alpha hydroxy acids and derivatives
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • fatty alcohols
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • saccharide
  • organic oxide
  • fatty alcohol
  • hydroxy fatty acid
  • alcohol
  • hydroxy acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound
  • medium-chain keto acid