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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:01 UTC
Update Date2025-03-25 01:01:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251720
Frequency0.5
Structure
Chemical FormulaC15H11FO4
Molecular Mass274.0641
SMILESO=C1c2ccc(O)cc2OCC1c1ccc(F)c(O)c1
InChI KeyNNUWTUGQYWZBGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • aryl fluorides
  • chromones
  • fluorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • o-fluorophenols
  • organic oxides
  • organofluorides
  • oxacyclic compounds
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • isoflavanone
  • ketone
  • fluorobenzene
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • organofluoride
  • 1-hydroxy-4-unsubstituted benzenoid
  • 2-fluorophenol
  • aryl halide
  • 2-halophenol
  • oxacycle
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound
  • aryl ketone