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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:42 UTC
Update Date2025-03-25 00:56:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219171
Frequency0.5
Structure
Chemical FormulaC31H33FN2O4
Molecular Mass516.2424
SMILESCOCC(O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(O)=Nc2ccccc2O)c1C(C)C
InChI KeyIIAUIUPQRAWCCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • azacyclic compounds
  • carboximidic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • substituted pyrroles
    • Substituents
  • aryl fluoride
  • carboximidic acid
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • substituted pyrrole
  • organohalogen compound
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • fluorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound