EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H9BrO4 |
| Net Charge | 0 |
| Average Mass | 273.082 |
| Monoisotopic Mass | 271.96842 |
| SMILES | C[C@@H]1Cc2cc(O)c(Br)c(O)c2C(=O)O1 |
| InChI | InChI=1S/C10H9BrO4/c1-4-2-5-3-6(12)8(11)9(13)7(5)10(14)15-4/h3-4,12-13H,2H2,1H3/t4-/m1/s1 |
| InChIKey | NUEDAJYRPRBNCI-SCSAIBSYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lachnum palmae (ncbitaxon:397619) | - | PubMed (29421516) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palmaerone D (CHEBI:215481) is a hydroxybenzoic acid (CHEBI:24676) |
| IUPAC Name |
|---|
| (3R)-7-bromo-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78442173 | ChemSpider |