Hmdb loader

Showing information for DMID02227820

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:33 UTC
Update Date2025-03-25 00:57:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227820
Frequency0.5
Structure
Chemical FormulaC12H12FNO
Molecular Mass205.0903
SMILESCC(=O)C1=NC(c2ccc(F)cc2)CC1
InChI KeyUXMVIFBTRSIZPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl fluorides
  • azacyclic compounds
  • fluorobenzenes
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • aryl fluoride
  • ketimine
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • imine
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • fluorobenzene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • organofluoride
  • organic 1,3-dipolar compound
  • 2-phenylpyrroline
  • aryl halide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound