EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H16O |
| Net Charge | 0 |
| Average Mass | 272.347 |
| Monoisotopic Mass | 272.12012 |
| SMILES | Cc1c2ccccc2c(C)c2c3c(ccc12)C1OC1C=C3 |
| InChI | InChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3 |
| InChIKey | UZKWBBZEYBCHIN-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) |
| 1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene (CHEBI:82517) is a phenanthrenes (CHEBI:25961) |
| Manual Xrefs | Databases |
|---|---|
| C19489 | KEGG COMPOUND |
| HMDB0060341 | HMDB |