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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:51:19 UTC
Update Date2025-03-24 22:23:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01181140
Frequency1.1
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESO=CC(C=O)CO
InChI KeyKVUMOCRUBAKJHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • primary alcohols
  • short-chain aldehydes
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • short-chain aldehyde
  • aldehyde
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • primary alcohol