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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:47 UTC
Update Date2025-03-21 18:41:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133600
Frequency18.9
Structure
Chemical FormulaC21H35NO25S3
Molecular Mass797.066
SMILESCOC1C(C(=O)O)OC(OC2OC(COS(=O)(=O)O)C(O)C(OC3OC(COS(=O)(=O)O)CC(O)C3NC(C)=O)C2O)C(OS(=O)(=O)O)C1O
InChI KeyHIAHZKRRFHRFIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • 1-o-glucuronide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester