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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:45 UTC
Update Date2025-03-25 00:53:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202931
Frequency0.5
Structure
Chemical FormulaC16H14I2N2O3
Molecular Mass535.9094
SMILESO=C1NCC(Cc2cc(I)c(Oc3ccc(O)cc3)c(I)c2)N1
InChI KeyZOUZAZJDFLZHFJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl iodides
  • azacyclic compounds
  • carbonyl compounds
  • diarylethers
  • hydrocarbon derivatives
  • imidazolidinones
  • iodobenzenes
  • organic carbonic acids and derivatives
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • imidazolidine
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • imidazolidinone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • carbonic acid derivative
  • azacycle
  • aryl halide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound