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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:01:43 UTC
Update Date2025-03-25 01:16:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02343388
Frequency0.5
Structure
Chemical FormulaC36H62O31
Molecular Mass990.3275
SMILESCC1OC(OC2(OC3OC(CO)C(O)C(O)C3O)C(CO)OC(OCC3OC(OC4C(CO)OC(O)C(O)C4O)C(O)C(OC4C(CO)OC(O)C(O)C4O)OC3CO)C2O)C(O)C(O)C1O
InChI KeyZJBZWNCQWAVEJT-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
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • tetrahydrofuran
  • 1,4-dioxepane
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound