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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:13:32 UTC
Update Date2025-03-24 16:43:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00946716
Frequency1.5
Structure
Chemical FormulaC5H6O4
Molecular Mass130.0266
SMILESO=C(O)C1COCC1=O
InChI KeySKGWOISZRDNVSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acids
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • 3-furanone
  • organooxygen compound