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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:09 UTC
Update Date2025-03-25 00:59:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238167
Frequency0.5
Structure
Chemical FormulaC10H9IO5
Molecular Mass335.9495
SMILESO=C(O)CCc1cc(I)c(O)c(C(=O)O)c1
InChI KeyOOSMXEJIWBOZDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 3-halobenzoic acids
  • aryl iodides
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • halobenzoic acids
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • salicylic acids
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 3-halobenzoic acid or derivatives
  • benzoyl
  • salicylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • 3-halobenzoic acid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • halobenzoic acid
  • 2-iodophenol
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • aryl halide
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • 2-halophenol
  • vinylogous acid
  • organic oxygen compound
  • salicylic acid or derivatives
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • organooxygen compound