EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H12O4 |
| Net Charge | 0 |
| Average Mass | 184.191 |
| Monoisotopic Mass | 184.07356 |
| SMILES | COc1ccc(C(O)CO)cc1O |
| InChI | InChI=1S/C9H12O4/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,10-12H,5H2,1H3 |
| InChIKey | FBDKAIYPFAFJHV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol (CHEBI:125412) is a methoxybenzenes (CHEBI:51683) |
| 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol (CHEBI:125412) is a phenols (CHEBI:33853) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36898 | LINCS |
| HMDB0035056 | HMDB |