EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H10O4 |
| Net Charge | 0 |
| Average Mass | 194.186 |
| Monoisotopic Mass | 194.05791 |
| SMILES | C[C@H]1Cc2c(cc(O)cc2C(=O)O)O1 |
| InChI | InChI=1S/C10H10O4/c1-5-2-7-8(10(12)13)3-6(11)4-9(7)14-5/h3-5,11H,2H2,1H3,(H,12,13)/t5-/m0/s1 |
| InChIKey | WIBUSMFVNUWHPI-YFKPBYRVSA-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) |
| (S)-6-hydroxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid (CHEBI:214781) is a hydroxybenzoic acid (CHEBI:24676) |
| IUPAC Name |
|---|
| (2S)-6-hydroxy-2-methyl-2,3-dihydro-1-benzouran-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443519 | ChemSpider |