EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12O4 |
| Net Charge | 0 |
| Average Mass | 220.224 |
| Monoisotopic Mass | 220.07356 |
| SMILES | COc1cc(OC)c2c(C)cc(=O)oc2c1 |
| InChI | InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3 |
| InChIKey | WFSKVHPOKPQJSU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,7-dimethoxy-4-methyl-1-benzopyran-2-one (CHEBI:121071) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32514 | LINCS |