Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:57:25 UTC
Update Date2025-03-24 21:25:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01771553
Frequency0.7
Structure
Chemical FormulaC35H60O31
Molecular Mass976.3119
SMILESCC1OC(OC2(OC3OC(CO)C(O)C(O)C3O)C(CO)OC(OC3C(O)C(OC4C(CO)OC(O)C(O)C4O)OC(OC4C(CO)OC(O)C(O)C4O)C3O)OC2CO)C(O)C(O)C1O
InChI KeyAUQBVKFGCLSZFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid orthoesters
Direct Parent carboxylic acid orthoesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound