EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H14O3 |
| Net Charge | 0 |
| Average Mass | 314.340 |
| Monoisotopic Mass | 314.09429 |
| SMILES | O=C(OCc1ccccc1)c1ccc2c(c1)-c1ccccc1C2=O |
| InChI | InChI=1S/C21H14O3/c22-20-17-9-5-4-8-16(17)19-12-15(10-11-18(19)20)21(23)24-13-14-6-2-1-3-7-14/h1-12H,13H2 |
| InChIKey | NCIFBRHXIDGDDR-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-oxo-3-fluorenecarboxylic acid (phenylmethyl) ester (CHEBI:114395) is a fluorenes (CHEBI:24059) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25855 | LINCS |