Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:17:09 UTC
Update Date2025-03-21 23:12:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00667584
Frequency2.4
Structure
Chemical FormulaC4H3ClO2
Molecular Mass117.9822
SMILESClC12OC1C1OC12
InChI KeyYCUVNIYBUIMNMR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • ether
  • tetrahydrofuran
  • alkyl chloride
  • organochloride
  • oxirane
  • organohalogen compound
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound