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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:01:47 UTC
Update Date2025-03-24 20:59:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01637929
Frequency0.8
Structure
Chemical FormulaC19H16I4N2O10S
Molecular Mass971.6705
SMILESNC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(O)=NC(CC(=O)O)C(=O)O
InChI KeyJVRYVNHAANARSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent aspartic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • amphetamines and derivatives
  • aryl iodides
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • diarylethers
  • dicarboxylic acids and derivatives
  • diphenylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • monoalkylamines
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • propargyl-type 1,3-dipolar organic compounds
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • carboximidic acid
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • propargyl-type 1,3-dipolar organic compound
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • arylsulfate
  • amphetamine or derivatives
  • organic sulfuric acid or derivatives
  • organic 1,3-dipolar compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • aspartic acid or derivatives
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound