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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:02 UTC
Update Date2025-03-25 00:55:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210598
Frequency0.5
Structure
Chemical FormulaC9H14O4
Molecular Mass186.0892
SMILESCC(=O)C(OC(=O)C(C)C)C(C)=O
InChI KeyKXQUFRHTNSOJFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • beta-diketones
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • alpha-acyloxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • 1,3-diketone