Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:37 UTC
Update Date2025-03-25 01:01:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246226
Frequency0.5
Structure
Chemical FormulaC13H17ClO
Molecular Mass224.0968
SMILESCC1(C)COC(C)(c2ccc(Cl)cc2)C1
InChI KeyYQPFGDBLYHUCRR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent chlorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • dialkyl ethers
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • aryl chloride
  • chlorobenzene
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • organochloride
  • organohalogen compound
  • dialkyl ether
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound