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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:36 UTC
Update Date2025-03-25 00:52:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191231
Frequency0.5
Structure
Chemical FormulaC13H21NO12
Molecular Mass383.1064
SMILESCC(=O)NC1C(O)OC(C(=O)O)OC1OC(C(O)CO)C(O)C(O)C=O
InChI KeyLQXHBSYMWIBCDR-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
  • acetals
  • acetamides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • primary alcohol
  • acetamide
  • alcohol
  • aldehyde
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane
  • organooxygen compound