| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:59 UTC |
|---|
| Update Date | 2025-03-21 18:39:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124612 |
|---|
| Frequency | 20.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H7Br3O5S |
|---|
| Molecular Mass | 499.7564 |
|---|
| SMILES | O=S(=O)(O)Oc1cc(Br)ccc1Oc1ccc(Br)cc1Br |
|---|
| InChI Key | YVZHGLQFDNDLSW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | bromodiphenyl ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl bromidesbromobenzenesdiarylethershydrocarbon derivativesorganic oxidesorganobromidesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherbromodiphenyl etherorganohalogen compoundphenylsulfateorganic oxidearylsulfateorganic sulfuric acid or derivativesbromobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
|---|
