EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H9BrO4 |
| Net Charge | 0 |
| Average Mass | 249.060 |
| Monoisotopic Mass | 247.96842 |
| SMILES | OC(O)c1ccc(Br)c(C(O)O)c1 |
| InChI | InChI=1S/C8H9BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7-8,10-13H |
| InChIKey | ZFQIFTVNBILHJT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-Bromo-1,3-phenylene)dimethanediol (CHEBI:177621) is a organobromine compound (CHEBI:37141) |
| IUPAC Name |
|---|
| [4-bromo-3-(dihydroxymethyl)phenyl]methanediol |
| Manual Xrefs | Databases |
|---|---|
| 58830048 | ChemSpider |