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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:02:21 UTC
Update Date2025-03-24 21:53:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01924991
Frequency0.6
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCCC(C)C(O)C(=O)C=O
InChI KeyLHPZRGDUXUXTQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha ketoaldehydes
  • alpha-hydroxy ketones
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • monosaccharide
  • alpha-hydroxy ketone
  • medium-chain aldehyde
  • ketone
  • saccharide
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • alpha-ketoaldehyde