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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:54 UTC
Update Date2025-03-21 18:35:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105204
Frequency25.7
Structure
Chemical FormulaC8H12O7
Molecular Mass220.0583
SMILESCOC1=C(O)C(=O)OC1C(O)C(O)CO
InChI KeyVXXNSPMAFJIOMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • vinylogous ester
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound