EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H34F3N3O4 |
| Net Charge | 0 |
| Average Mass | 569.624 |
| Monoisotopic Mass | 569.25014 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2ccccc2C1=O |
| InChI | InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1 |
| InChIKey | HSJIFMVKIOATEF-GTNJKRJXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-12852 (CHEBI:101489) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12852 | LINCS |