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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:28:23 UTC
Update Date2025-03-24 17:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00982727
Frequency1.4
Structure
Chemical FormulaC5H6O4
Molecular Mass130.0266
SMILESO=CC1C(=O)OCC1O
InChI KeyWKVHQIJRMXDRMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • aldehydes
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • aldehyde
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound