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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:30:33 UTC
Update Date2025-03-24 22:06:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01991900
Frequency0.6
Structure
Chemical FormulaC42H72N2O32
Molecular Mass1116.4068
SMILESCC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(C(O)CO)OC3C(O)C(CO)OC4OC(CO)C(O)C(OC(C2O)C3NC(C)=O)C(O)C(C(OC2OC(CO)C(O)C(O)C2O)C(O)C=O)O4)OC1C(O)C(O)CO
InChI KeyKQCUYJMPRZBNHC-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 heteropolycyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alpha-hydroxyaldehydes
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • aldehyde
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound