EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O5 |
| Net Charge | 0 |
| Average Mass | 224.212 |
| Monoisotopic Mass | 224.06847 |
| SMILES | C=C1OC(=O)C2=C1OC(C=CC)C(O)C2O |
| InChI | InChI=1S/C11H12O5/c1-3-4-6-8(12)9(13)7-10(16-6)5(2)15-11(7)14/h3-4,6,8-9,12-13H,2H2,1H3 |
| InChIKey | ZVRUDYNVKYYNCW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4499 (CHEBI:93921) is a butenolide (CHEBI:50523) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4499 | LINCS |