EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | CCc1cc(O)cc(O)c1C(=O)O |
| InChI | InChI=1S/C9H10O4/c1-2-5-3-6(10)4-7(11)8(5)9(12)13/h3-4,10-11H,2H2,1H3,(H,12,13) |
| InChIKey | NTUDHBSIWKKKMY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium baarnense (ncbitaxon:69793) | - | DOI (10.3891/acta.chem.scand.18-1591) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Homoorsellinic acid (CHEBI:199592) is a hydroxybenzoic acid (CHEBI:24676) |
| IUPAC Name |
|---|
| 2-ethyl-4,6-dihydroxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 27022333 | ChemSpider |