Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:09 UTC
Update Date2025-03-21 18:37:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118000
Frequency22.2
Structure
Chemical FormulaC12H9ClO
Molecular Mass204.0342
SMILESOc1ccccc1-c1cccc(Cl)c1
InChI KeyOIBKYECEAHDLBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass biphenyls and derivatives
Direct Parent chlorinated biphenyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organooxygen compounds
  • Substituents
  • aryl chloride
  • chlorobenzene
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • chlorinated biphenyl
  • organooxygen compound