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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:38 UTC
Update Date2025-03-25 00:50:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182240
Frequency0.5
Structure
Chemical FormulaC13H22O13
Molecular Mass386.106
SMILESO=C(O)C1OC(CO)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O
InChI KeyJXJNSNKLBZRMIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • 1,3-dioxepane
  • carbonyl group
  • carboxylic acid
  • tetrahydrofuran
  • monosaccharide
  • hydroxy acid
  • carboxylic acid derivative
  • oxacycle
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound