EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12O4 |
| Net Charge | 0 |
| Average Mass | 268.268 |
| Monoisotopic Mass | 268.07356 |
| SMILES | CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1CO2 |
| InChI | InChI=1S/C16H12O4/c1-10(17)20-12-6-7-15-14(8-12)16(18)13-5-3-2-4-11(13)9-19-15/h2-8H,9H2,1H3 |
| InChIKey | RNFDQFXMAXHPKE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester (CHEBI:116227) is a organic heterotricyclic compound (CHEBI:26979) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27682 | LINCS |