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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:32:55 UTC
Update Date2025-03-21 19:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00280561
Frequency7.2
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESCC(=O)C(=O)C(C)C=O
InChI KeyCBIOWOAHGWGTSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • beta ketoaldehydes
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • beta-ketoaldehyde
  • aldehyde
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • alpha-diketone