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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:14:53 UTC
Update Date2025-03-25 01:46:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02513876
Frequency0.5
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESCOC(C=O)C=O
InChI KeyJBDLAPGGRNEDKV-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • short-chain aldehyde
  • ether
  • aldehyde
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • dialkyl ether