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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:35 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204896
Frequency0.5
Structure
Chemical FormulaC15H9FO5
Molecular Mass288.0434
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(F)c12
InChI KeyNFASYASQZSQTRM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3'-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • aryl fluorides
  • benzene and substituted derivatives
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • m-fluorophenols
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous halides
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • organofluoride
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • vinylogous halide
  • 3-fluorophenol
  • 3'-hydroxyflavonoid
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound