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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:48 UTC
Update Date2025-03-25 00:56:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217030
Frequency0.5
Structure
Chemical FormulaC18H29Cl3O13
Molecular Mass558.0674
SMILESOCC1OC(OC2OC(CCl)C(O)C(O)C2OC2OC(CCl)C(O)C(O)C2O)C(O)C(O)C1Cl
InChI KeyLZMMTMFDKPAWEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl chlorides
  • chlorohydrins
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • chlorohydrin
  • halohydrin
  • alkyl chloride
  • organochloride
  • monosaccharide
  • organohalogen compound
  • oxacycle
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound