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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:53 UTC
Update Date2025-03-25 00:52:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191882
Frequency0.5
Structure
Chemical FormulaC22H37NO18
Molecular Mass603.2011
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC(C(O)C=O)C(O)CO)OC(CO)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyXDPPQTRHXFJEIC-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
  • 1,3-dioxanes
  • acetamides
  • alpha-hydroxyaldehydes
  • carboxylic acid orthoesters
  • carboxylic acids
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • aldehyde
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane