Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:10:05 UTC
Update Date2025-03-24 21:57:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01943252
Frequency0.6
Structure
Chemical FormulaC4H8Cl2O
Molecular Mass141.9952
SMILESCC(C)(O)C(Cl)Cl
InChI KeySRRYUISCSVKHQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • chlorohydrins
  • hydrocarbon derivatives
  • organochlorides
  • Substituents
  • aliphatic acyclic compound
  • chlorohydrin
  • halohydrin
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • tertiary alcohol
  • alkyl halide
  • hydrocarbon derivative