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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:25:08 UTC
Update Date2025-03-25 01:50:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02537351
Frequency0.5
Structure
Chemical FormulaC20H32O31S4
Molecular Mass895.981
SMILESO=C(O)C1OC(OC2C(OC3C(O)C(O)OC(COS(=O)(=O)O)C3O)OC(C(=O)O)C(OS(=O)(=O)O)C(O)C2OS(=O)(=O)O)C(COS(=O)(=O)O)C(O)C1O
InChI KeyXILJIKFYAQINQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • oxepanes
  • 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
  • hemiacetal
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • oxepane
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound