| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:29:02 UTC |
|---|
| Update Date | 2025-03-25 01:27:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02406414 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H18I6N2O4 |
|---|
| Molecular Mass | 1147.5535 |
|---|
| SMILES | NCCc1cc(I)c(Oc2cc(I)c(Oc3c(I)cc(CC(N)C(=O)O)cc3I)cc2I)c(I)c1 |
|---|
| InChI Key | ZTGRTBVAEVQBNE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
