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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:13 UTC
Update Date2025-03-21 18:31:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086603
Frequency32.9
Structure
Chemical FormulaC13H23NO12
Molecular Mass385.122
SMILESCC(=O)NC1C(C(O)C(O)CO)OC(O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyQPHFRAYANSDBRM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • orthocarboxylic acid derivative
  • primary alcohol
  • meta-dioxane
  • acetamide
  • organooxygen compound