| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:31 UTC |
|---|
| Update Date | 2025-03-25 00:50:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181978 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H9I2NO5 |
|---|
| Molecular Mass | 476.857 |
|---|
| SMILES | O=C(O)C(Cc1cc(I)c(O)c(I)c1)N=C(O)O |
|---|
| InChI Key | RHLREQROHFRFCE-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivatives2-iodophenolorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
