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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:30:26 UTC
Update Date2025-03-21 20:57:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00415153
Frequency4.3
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(O)C(=O)C(C)C=O
InChI KeyXLBBNNZZDZFYSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • acyloins
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound