EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H12O4 |
| Net Charge | 0 |
| Average Mass | 196.202 |
| Monoisotopic Mass | 196.07356 |
| SMILES | OCC(O)Cc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C10H12O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,11-12H,3,5-6H2 |
| InChIKey | FYDVPEVHFUBOJG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1,3-benzodioxol-5-yl)propane-1,2-diol (CHEBI:91667) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030571 | HMDB |
| LSM-1505 | LINCS |