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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:20 UTC
Update Date2025-03-25 00:47:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163214
Frequency0.5
Structure
Chemical FormulaC8H12O7
Molecular Mass220.0583
SMILESO=C(O)C1C(=O)OCC1C(O)C(O)CO
InChI KeyMHBFINOYELKVNY-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
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • primary alcohol
  • organooxygen compound