EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16O5 |
| Net Charge | 0 |
| Average Mass | 288.299 |
| Monoisotopic Mass | 288.09977 |
| SMILES | CC(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 |
| InChI | InChI=1S/C16H16O5/c1-9(17)21-16(2,3)14-7-11-6-10-4-5-15(18)20-12(10)8-13(11)19-14/h4-6,8,14H,7H2,1-3H3 |
| InChIKey | XBEFQTHUADKZEH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetic acid 2-(7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl)propan-2-yl ester (CHEBI:114208) is a psoralens (CHEBI:26369) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25669 | LINCS |