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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:05 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171793
Frequency0.5
Structure
Chemical FormulaC19H20FNO2
Molecular Mass313.1478
SMILESCN(C)CCC1(c2ccc(F)cc2)OCC(=O)c2ccccc21
InChI KeyVNWSHFKDQOFSAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • aryl fluorides
  • dialkyl ethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • organohalogen compound
  • dialkyl ether
  • ketone
  • fluorobenzene
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • organofluoride
  • tertiary aliphatic amine
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound
  • aryl ketone