| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:56 UTC |
|---|
| Update Date | 2025-03-21 18:03:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043195 |
|---|
| Frequency | 78.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H13I2NO5 |
|---|
| Molecular Mass | 540.8883 |
|---|
| SMILES | NC(Cc1cc(I)c(Oc2ccc(O)cc2O)c(I)c1)C(=O)O |
|---|
| InChI Key | WSHNHEGQKSOZSC-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidsresorcinols |
|---|
| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideresorcinolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
