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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:18 UTC
Update Date2025-03-21 18:36:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108629
Frequency24.7
Structure
Chemical FormulaC6H6O9S
Molecular Mass253.9733
SMILESO=C(O)CC1OC(=O)C(O)=C1OS(=O)(=O)O
InChI KeyLMNJBKUIYRAVCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • enoate ester
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound