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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:05:58 UTC
Update Date2025-03-24 21:55:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01933589
Frequency0.6
Structure
Chemical FormulaC6H6O3
Molecular Mass126.0317
SMILESC=C1C(=O)OC(C)C1=O
InChI KeyYYDPTGWOUMTIAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • enoate esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • enoate ester
  • carbonyl group
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound