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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:47:16 UTC
Update Date2025-03-24 20:28:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01458897
Frequency0.9
Structure
Chemical FormulaC36H61NO29
Molecular Mass971.3329
SMILESCC(=O)NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)OC1OC1C(O)C(COC2OC(CO)C(O)C(O)C2O)OC(OC2C(CO)OC(O)C(O)C2O)C1O
InChI KeyCRRMJTIWBMIYKK-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
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • tetrahydrofuran
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound