EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20O5 |
| Net Charge | 0 |
| Average Mass | 316.353 |
| Monoisotopic Mass | 316.13107 |
| SMILES | COC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 |
| InChI | InChI=1S/C18H20O5/c1-10-8-14(22-11(2)17(19)21-3)16-12-6-4-5-7-13(12)18(20)23-15(16)9-10/h8-9,11H,4-7H2,1-3H3 |
| InChIKey | ZWNAXHWQBFOLGY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester (CHEBI:112454) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23866 | LINCS |