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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:28 UTC
Update Date2025-03-25 00:51:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186422
Frequency0.5
Structure
Chemical FormulaC18H31NO16
Molecular Mass517.1643
SMILESNC1C(OCC2OC(OC3C(C(=O)O)OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1O
InChI KeyADYHGJYTGQMZHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acyl glycosides
Direct Parent fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound