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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:30 UTC
Update Date2025-03-25 00:49:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172732
Frequency0.5
Structure
Chemical FormulaC25H44N2O18
Molecular Mass660.2589
SMILESCC(=O)NC1C(O)CC(OC2OC(CO)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(NC(C)=O)C1C(O)C(O)CO
InChI KeyFWKPUVMMNZOPDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • cyclohexanol
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • hydrocarbon derivative
  • organic nitrogen compound