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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:33 UTC
Update Date2025-03-21 18:35:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104335
Frequency26.0
Structure
Chemical FormulaC15H13ClO3
Molecular Mass276.0553
SMILESOc1ccc(C2COc3cc(O)c(Cl)cc3C2)cc1
InChI KeyLWZLLUFBWPOATA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl chlorides
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
    • Substituents
  • aryl chloride
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • organochloride
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound