EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H8O5 |
| Net Charge | 0 |
| Average Mass | 208.169 |
| Monoisotopic Mass | 208.03717 |
| SMILES | CC(=O)[C@@H]1OC(=O)c2c(O)cc(O)cc21 |
| InChI | InChI=1S/C10H8O5/c1-4(11)9-6-2-5(12)3-7(13)8(6)10(14)15-9/h2-3,9,12-13H,1H3/t9-/m0/s1 |
| InChIKey | KLBSSFLIZVTENH-VIFPVBQESA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Acetophthalidin (CHEBI:222974) is a hydroxybenzoic acid (CHEBI:24676) |
| IUPAC Name |
|---|
| 3-acetyl-5,7-dihydroxy-3H-2-benzouran-1-one |
| Manual Xrefs | Databases |
|---|---|
| 7970061 | ChemSpider |