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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:50 UTC
Update Date2025-03-25 00:53:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203131
Frequency0.5
Structure
Chemical FormulaC15H11ClO2
Molecular Mass258.0448
SMILESO=C1CC(c2ccc(Cl)cc2)c2ccccc2O1
InChI KeyQTCQBQOILXYCEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 3,4-dihydrocoumarins
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • chlorobenzenes
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
    • Substituents
  • neoflavan
  • monocyclic benzene moiety
  • carbonyl group
  • 1-benzopyran
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • benzopyran
  • 3,4-dihydrocoumarin
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound