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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:38 UTC
Update Date2025-03-21 18:33:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094726
Frequency29.3
Structure
Chemical FormulaC15H23NO13
Molecular Mass425.1169
SMILESCC(=O)NC1C(O)CC(OCC2OC(O)C(O)C(O)C2O)(C(=O)O)OC1C(=O)O
InChI KeyDISYQZWKTPPOLC-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
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • acetamide
  • alcohol
  • pyran carboxylic acid or derivatives
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound