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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:06:51 UTC
Update Date2025-03-24 19:54:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01073321
Frequency1.3
Structure
Chemical FormulaC47H80N2O36
Molecular Mass1248.4491
SMILESCC(=O)NC1C(OC2C(O)C(OOC3CC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)OC(OC3OC(CO)C(O)C(O)C3O)C2O)OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyXRUUTHONNXPMRC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • dialkyl peroxides
  • 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
  • acetal
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • acetamide
  • alcohol
  • cyclitol or derivatives
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound