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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:59:08 UTC
Update Date2025-03-25 00:31:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02060035
Frequency0.6
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESC=CC(O)C(=O)C=O
InChI KeyGTSFZYZNQYWHRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha ketoaldehydes
  • alpha-hydroxy ketones
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • short-chain aldehydes
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • short-chain aldehyde
  • aldehyde
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • alpha-ketoaldehyde