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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:03:37 UTC
Update Date2025-03-24 20:35:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01498190
Frequency0.9
Structure
Chemical FormulaC42H72O34
Molecular Mass1120.3905
SMILESCC1OC(OC2OC(O)C(OCC3C(CO)OC(OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyJGRYNGBSYHPQGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • tetrahydrofuran
  • 1,4-dioxepane
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound