| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:03 UTC |
|---|
| Update Date | 2025-03-21 18:05:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059916 |
|---|
| Frequency | 52.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H10I2O5 |
|---|
| Molecular Mass | 523.8618 |
|---|
| SMILES | O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |
|---|
| InChI Key | KSBHEVUEOREYBQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl iodidescarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesphenol ethersphenoxy compoundsphenylpropanoic acidsphenylpyruvic acid derivatives |
|---|
| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxidealpha-keto acidphenylpyruvatearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
