Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:06 UTC
Update Date2025-03-21 18:38:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120221
Frequency21.6
Structure
Chemical FormulaC15H13IO2
Molecular Mass351.996
SMILESC=CCc1ccc(Oc2ccc(O)cc2)c(I)c1
InChI KeyLPNMOFCIFGZVSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl iodides
  • diarylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • organoiodides
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound