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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:23:38 UTC
Update Date2025-03-25 01:50:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02533762
Frequency0.5
Structure
Chemical FormulaC44H74N2O33
Molecular Mass1158.4174
SMILESCC(=O)NC1C(O)CC(OCC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)O)OC(CO)C1O
InChI KeyHQILUJHHGZGJEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • acetamide
  • alcohol
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound