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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:16 UTC
Update Date2025-03-25 00:50:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183669
Frequency0.5
Structure
Chemical FormulaC7H8O5
Molecular Mass172.0372
SMILESO=C1OCC2C(CO)OC(=O)C12
InChI KeyYHWOLNHOVZXATL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurofurans
Subclass furofurans
Direct Parent furofurans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • furofuran
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • primary alcohol
  • organooxygen compound