EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12O5 |
| Net Charge | 0 |
| Average Mass | 248.234 |
| Monoisotopic Mass | 248.06847 |
| SMILES | CCOC(=O)c1cc2ccc(OC)cc2oc1=O |
| InChI | InChI=1S/C13H12O5/c1-3-17-12(14)10-6-8-4-5-9(16-2)7-11(8)18-13(10)15/h4-7H,3H2,1-2H3 |
| InChIKey | FWFVXBZXJKTVGL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester (CHEBI:108321) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19697 | LINCS |