EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12O5 |
| Net Charge | 0 |
| Average Mass | 236.223 |
| Monoisotopic Mass | 236.06847 |
| SMILES | COc1cc2ccc(=O)oc2c(OC)c1OC |
| InChI | InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3 |
| InChIKey | RAYQKHLZHPFYEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,7,8-trimethoxy-1-benzopyran-2-one (CHEBI:93172) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3489 | LINCS |