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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:47 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175707
Frequency0.5
Structure
Chemical FormulaC30H29FN2O3
Molecular Mass484.2162
SMILESCc1ccccc1N=C(O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CCC(=O)O)c1C(C)C
InChI KeyGINTVRPYSDOAQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • substituted pyrroles
  • toluenes
    • Substituents
  • aryl fluoride
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • substituted pyrrole
  • carboxylic acid derivative
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • fluorobenzene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • aryl halide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organooxygen compound