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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:29 UTC
Update Date2025-03-25 00:50:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181898
Frequency0.5
Structure
Chemical FormulaC26H46O22
Molecular Mass710.2481
SMILESOCC(O)C1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyJHRLJSOUMXCDSH-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
  • acetals
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • cyclic alcohol
  • oxacycle
  • saccharide
  • acetal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound