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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:09:07 UTC
Update Date2025-03-24 21:03:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01655870
Frequency0.8
Structure
Chemical FormulaC41H70O33
Molecular Mass1090.3799
SMILESCC1OC(OC2OC(OCC3OC(CO)C(OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyJNVVPVPUCNPUJA-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • ether
  • ortho ester
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid orthoester
  • dialkyl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound