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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:28 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159048
Frequency0.5
Structure
Chemical FormulaC23H40O20
Molecular Mass636.2113
SMILESOCC1OC(OCC2C(CO)OC(OC3OC(CO)C(O)C(O)C3O)C2O)OC(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyPIEPJBVWCKYDGK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid orthoesters
Direct Parent carboxylic acid orthoesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • hydrocarbon derivatives
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • ortho ester
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid orthoester
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound