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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:45 UTC
Update Date2025-03-25 00:51:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189345
Frequency0.5
Structure
Chemical FormulaC10H9IO
Molecular Mass271.9698
SMILESCC(C=O)=Cc1ccc(I)cc1
InChI KeyKZNXDLONVPCLFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamaldehydes
Subclass cinnamaldehydes
Direct Parent cinnamaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aldehydes
  • aryl iodides
  • hydrocarbon derivatives
  • iodobenzenes
  • organic oxides
  • organoiodides
    • Substituents
  • monocyclic benzene moiety
  • cinnamaldehyde
  • carbonyl group
  • aldehyde
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • organooxygen compound