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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:48 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200814
Frequency0.5
Structure
Chemical FormulaC16H11FO3
Molecular Mass270.0692
SMILESCOc1ccc2c(=O)cc(-c3ccc(F)cc3)oc2c1
InChI KeyFQRUARKLFVTIIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 7-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl fluorides
  • chromones
  • flavonoids
  • fluorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • aryl fluoride
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • organohalogen compound
  • fluorobenzene
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • organofluoride
  • heteroaromatic compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • 7-methoxyflavonoid-skeleton
  • halobenzene
  • organooxygen compound