Hmdb loader

Showing information for DMID02221120

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:32 UTC
Update Date2025-03-25 00:56:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221120
Frequency0.5
Structure
Chemical FormulaC12H12Cl2O2
Molecular Mass258.0214
SMILESO=C(Oc1ccc(Cl)cc1Cl)C1CCCC1
InChI KeyKXUZTAOIOOFHDR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • dichlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenoxy compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • carbonyl group
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • organooxygen compound