Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:35 UTC
Update Date2025-03-21 18:07:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068354
Frequency44.3
Structure
Chemical FormulaC7H12Cl2O5
Molecular Mass246.0062
SMILESOC1C(CCl)OC(O)(CCl)C(O)C1O
InChI KeyBCXVEQNUWGGKHB-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
  • alkyl chlorides
  • chlorohydrins
  • hemiacetals
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • chlorohydrin
  • halohydrin
  • alkyl chloride
  • organochloride
  • monosaccharide
  • organohalogen compound
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • alkyl halide
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound