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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:50:37 UTC
Update Date2025-03-21 18:02:45 UTC
HMDB IDHMDB0060463
Metabolite Identification
DeepMet IDDMID00039988
NameCitalopram propionic acid
Frequency86.6
Structure
Chemical FormulaC18H14FNO3
Molecular Mass311.0958
SMILESN#Cc1ccc2c(c1)COC2(CCC(=O)O)c1ccc(F)cc1
InChI KeyJSYNRZJODZWUKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitriles
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • nitrile
  • carboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • dialkyl ether
  • fluorobenzene
  • organic oxide
  • isocoumaran
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • organofluoride
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound