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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:04 UTC
Update Date2025-03-21 18:32:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093383
Frequency29.9
Structure
Chemical FormulaC15H27NO12
Molecular Mass413.1533
SMILESCC(=O)NC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI KeyPJCPQGOGPXGTJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • monosaccharide
  • carboxamide group
  • carboxylic acid derivative
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • acetamide
  • organooxygen compound