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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:30 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125837
Frequency20.4
Structure
Chemical FormulaC8H10O11S
Molecular Mass313.9944
SMILESO=C1OC(C(O)CO)C(C(=O)O)C(OS(=O)(=O)O)=C1O
InChI KeyRVSXKBQYACLGCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • dihydropyranone
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • aliphatic heteromonocyclic compound
  • primary alcohol
  • 1,2-diol
  • enoate ester
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound