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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:59:23 UTC
Update Date2025-03-24 16:36:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00912853
Frequency1.6
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESC=C1C(=O)OC(C)C1O
InChI KeyBKVUTCCUMZQAOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound