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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:09:39 UTC
Update Date2025-03-24 21:03:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01657166
Frequency0.8
Structure
Chemical FormulaC41H70O34
Molecular Mass1106.3748
SMILESCC1OC(OC2C(CO)OC(OC3OC(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C(CO)O4)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyKPWZYGIRYGIQRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carboxylic acid orthoesters
  • hydrocarbon derivatives
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • oxetanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • 1,3-dioxepane
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • oxetane
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organooxygen compound