EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H16O3 |
| Net Charge | 0 |
| Average Mass | 268.312 |
| Monoisotopic Mass | 268.10994 |
| SMILES | CCCCOc1ccc2c(c1)C(=O)c1cc(O)ccc1-2 |
| InChI | InChI=1S/C17H16O3/c1-2-3-8-20-12-5-7-14-13-6-4-11(18)9-15(13)17(19)16(14)10-12/h4-7,9-10,18H,2-3,8H2,1H3 |
| InChIKey | YNIZLADPUYQUNC-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) |
| 2-butoxy-7-hydroxy-9-fluorenone (CHEBI:121666) is a fluorenes (CHEBI:24059) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33109 | LINCS |