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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:43 UTC
Update Date2025-03-25 01:02:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253284
Frequency0.5
Structure
Chemical FormulaC13H23NO15S
Molecular Mass465.0788
SMILESO=C(O)C1OC(O)C(O)C(O)C1OC1OC(C(O)CO)C(O)C(NS(=O)(=O)O)C1O
InChI KeyNPLBWMNRXCIIMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoamides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • sulfuric acid monoamide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound