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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:52 UTC
Update Date2025-03-25 00:47:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159901
Frequency0.5
Structure
Chemical FormulaC9H7Cl7O2S
Molecular Mass423.7986
SMILESO=S1(=O)CC2(Cl)C3C(Cl)C(Cl)C(Cl)C3C1(Cl)C2(Cl)Cl
InChI KeyAZSJRYTZNLCWHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthianes
Subclass thianes
Direct Parent thianes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • sulfones
  • thiolanes
    • Substituents
  • thiolane
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • sulfone
  • thiane