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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:51 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182719
Frequency0.5
Structure
Chemical FormulaC13H7FO4
Molecular Mass246.0328
SMILESO=c1oc2cc(O)cc(F)c2c2ccc(O)cc12
InChI KeySLCHBPRQXMRTSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • aryl fluorides
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • m-fluorophenols
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • aryl fluoride
  • benzopyran
  • 1-benzopyran
  • organofluoride
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • isocoumarin
  • organohalogen compound
  • 3-fluorophenol
  • coumarin
  • aryl halide
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • 2-benzopyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound