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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:26 UTC
Update Date2025-03-25 00:57:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223183
Frequency0.5
Structure
Chemical FormulaC15H25NO13
Molecular Mass427.1326
SMILESNC1CCC(OC2OC(C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyZZPMLHRWDHCYPR-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
  • beta hydroxy acids and derivatives
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • delta amino acids and derivatives
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • ketals
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • delta amino acid or derivatives
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound