EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H27N3O2 |
| Net Charge | 0 |
| Average Mass | 401.510 |
| Monoisotopic Mass | 401.21033 |
| SMILES | CC(C)(C)n1nnc2c3c(ccc21)C1=CC(=O)CC[C@@]1(CCOc1ccccc1)C3 |
| InChI | InChI=1S/C25H27N3O2/c1-24(2,3)28-22-10-9-19-20(23(22)26-27-28)16-25(12-11-17(29)15-21(19)25)13-14-30-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3/t25-/m1/s1 |
| InChIKey | LYLIIGQPIKTONH-RUZDIDTESA-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) |
| mk-6913 (CHEBI:755552) is a fluorenes (CHEBI:24059) |
| Synonym | Source |
|---|---|
| Mk-6913 | ChEMBL |