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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:44 UTC
Update Date2025-03-25 00:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230377
Frequency0.5
Structure
Chemical FormulaC8H14O10S
Molecular Mass302.0308
SMILESCCOC1OC(OS(=O)(=O)O)C(O)C(O)C1C(=O)O
InChI KeyPILKDWHYLGWGGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound