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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:31 UTC
Update Date2025-03-25 00:45:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149990
Frequency0.5
Structure
Chemical FormulaC7H10O4
Molecular Mass158.0579
SMILESCC1C(=O)OC(C(C)O)C1=O
InChI KeyTYGMONJICWNGJI-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 acid esters
  • cyclic ketones
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • 3-furanone
  • organooxygen compound