Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:06 UTC
Update Date2025-03-25 00:58:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233489
Frequency0.5
Structure
Chemical FormulaC7H12Cl2O5
Molecular Mass246.0062
SMILESOCC1(O)OC(CCl)(CCl)C(O)C1O
InChI KeyPNFNHBIQUCUZFH-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
  • hemiacetals
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • tetrahydrofuran
  • alkyl chloride
  • organochloride
  • monosaccharide
  • organohalogen compound
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • alkyl halide
  • hydrocarbon derivative
  • organoheterocyclic compound