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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:28 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159036
Frequency0.5
Structure
Chemical FormulaC31H54O27
Molecular Mass858.2852
SMILESOCC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O
InChI KeyCQWAPDOBWGKVCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monosaccharide
  • oxepane
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound