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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:01:43 UTC
Update Date2025-03-25 01:16:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02343366
Frequency0.5
Structure
Chemical FormulaC32H56O27
Molecular Mass872.3009
SMILESCC1OC(OC2C(O)C(O)C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)OC4CO)C(O)C(O)C3O)OC2C(O)C(O)CO)C(O)C(O)C1O
InChI KeyJVVOMGMCIXLRPD-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
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound