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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:31:42 UTC
Update Date2025-03-24 13:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00702305
Frequency2.2
Structure
Chemical FormulaC17H15I4NO7S
Molecular Mass884.6748
SMILESNC(CCCc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O
InChI KeyVZGVIWKKWRASHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • aryl iodides
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • halogenated fatty acids
  • hydrocarbon derivatives
  • iodobenzenes
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylbutylamines
  • phenylsulfates
  • sulfated fatty acids
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • fatty acyl
  • carbocyclic fatty acid
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • medium-chain hydroxy acid
  • organoiodide
  • phenylsulfate
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • arylsulfate
  • halogenated fatty acid
  • organic sulfuric acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfated fatty acid
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound