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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:08 UTC
Update Date2025-03-21 18:04:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048449
Frequency68.4
Structure
Chemical FormulaC9H12INO
Molecular Mass276.9964
SMILESCOc1ccc(CCN)cc1I
InChI KeyNXESGJBIRCSTNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl iodides
  • hydrocarbon derivatives
  • iodobenzenes
  • methoxybenzenes
  • monoalkylamines
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organohalogen compound
  • methoxybenzene
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • organooxygen compound