EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H14O5 |
| Net Charge | 0 |
| Average Mass | 298.294 |
| Monoisotopic Mass | 298.08412 |
| SMILES | CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 |
| InChI | InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20) |
| InChIKey | AQFFXPQJLZFABJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-oxo-6-propan-2-yloxy-2-xanthenecarboxylic acid (CHEBI:95289) is a xanthones (CHEBI:51149) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6628 | LINCS |