EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22O4 |
| Net Charge | 0 |
| Average Mass | 302.370 |
| Monoisotopic Mass | 302.15181 |
| SMILES | CCc1cc(=O)oc2cc(C)cc(OCC(=O)C(C)(C)C)c12 |
| InChI | InChI=1S/C18H22O4/c1-6-12-9-16(20)22-14-8-11(2)7-13(17(12)14)21-10-15(19)18(3,4)5/h7-9H,6,10H2,1-5H3 |
| InChIKey | WVVMQNZKEZKSMP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-one (CHEBI:125209) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36676 | LINCS |