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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:59 UTC
Update Date2025-03-21 18:36:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112729
Frequency23.5
Structure
Chemical FormulaC6H4O6
Molecular Mass172.0008
SMILESO=C1OC(C(=O)CO)C(=O)C1=O
InChI KeyUSMHJSIOMPLSIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • beta-diketones
  • carboxylic acid esters
  • cyclic ketones
  • furanones
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • alcohol
  • alpha-acyloxy ketone
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • 3-furanone
  • organoheterocyclic compound
  • 1,3-diketone