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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:48:40 UTC
Update Date2025-03-24 22:22:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01175026
Frequency1.2
Structure
Chemical FormulaC45H76N2O33
Molecular Mass1172.433
SMILESCC(=O)NC1C(O)C(OC2OC(CO)C(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)O3)C2O)C(NC(C)=O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyCZVLKLNRDKQAMA-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
  • 1,3-dioxanes
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acid orthoesters
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary 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
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • tetrahydrofuran
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane