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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:46:47 UTC
Update Date2025-03-25 01:10:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02308320
Frequency0.5
Structure
Chemical FormulaC44H75N3O31
Molecular Mass1141.4385
SMILESCC(=O)NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(NC(C)=O)C1OC1OC(CO)C(O)C(OC2CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C1O
InChI KeyHRZOFSOAFMUXNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • cyclitol or derivatives
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound