| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:46 UTC |
|---|
| Update Date | 2025-03-21 17:59:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023762 |
|---|
| Frequency | 165.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H7Br3O2 |
|---|
| Molecular Mass | 419.7996 |
|---|
| SMILES | Oc1cc(Br)ccc1Oc1ccc(Br)cc1Br |
|---|
| InChI Key | WVIMQIYJAHUXHU-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl bromidesbromobenzenesdiarylethershalophenolshydrocarbon derivativesm-bromophenolsorganobromidesphenol ethersphenoxy compounds |
|---|
| Substituents | diaryl ether3-halophenolphenol etheretherbromodiphenyl ether1-hydroxy-2-unsubstituted benzenoidbromobenzene1-hydroxy-4-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromide3-bromophenolphenolhydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
|---|
