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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:39:36 UTC
Update Date2025-03-21 22:53:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00579466
Frequency2.8
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESCOC(=O)C1CCOC1=O
InChI KeyKBFOCDFPJBIMBD-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
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound