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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:03 UTC
Update Date2025-03-21 18:31:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086224
Frequency33.1
Structure
Chemical FormulaC15H10Cl2O4
Molecular Mass323.9956
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)Oc2cc(O)cc(O)c21
InChI KeyMGRFJIPBXILYNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • aryl chlorides
  • chromones
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • 1,2-dichlorobenzene
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound
  • aryl ketone