Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:02:17 UTC
Update Date2025-03-25 01:17:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02344707
Frequency0.5
Structure
Chemical FormulaC37H64O30
Molecular Mass988.3482
SMILESCC1OC(OC2C(O)C(OCC3C(O)C(O)C(O)C(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)OC4CO)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyJCIIDKDUNZNCPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • carboxylic acid orthoesters
  • cyclitols and derivatives
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • ether
  • ortho ester
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • carboxylic acid orthoester
  • cyclic alcohol
  • dialkyl ether
  • oxacycle
  • saccharide
  • acetal
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • meta-dioxane
  • organoheterocyclic compound