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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:46 UTC
Update Date2025-03-25 00:53:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198402
Frequency0.5
Structure
Chemical FormulaC9H14O12S
Molecular Mass346.0206
SMILESO=C(O)C1CC(O)(C(=O)O)OC(C(O)CO)C1OS(=O)(=O)O
InChI KeyJEXNUFORBSSIDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl sulfates
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • 1,2-diol
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester