Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:40 UTC
Update Date2025-03-21 18:05:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00059003
Frequency53.4
Structure
Chemical FormulaC18H30Cl2O14
Molecular Mass540.1013
SMILESOCC1OC(OCC2OC(OC3(CCl)OC(CCl)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeySUVAUPILQUZYLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • hydrocarbon derivatives
  • monosaccharides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • tetrahydrofuran
  • alkyl chloride
  • organochloride
  • monosaccharide
  • organohalogen compound
  • oxacycle
  • saccharide
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound