EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26N2O3 |
| Net Charge | 0 |
| Average Mass | 354.450 |
| Monoisotopic Mass | 354.19434 |
| SMILES | CCCOC(=O)C1C(C)=NC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1 |
| InChI | InChI=1S/C21H26N2O3/c1-5-9-26-20(25)17-13(2)23-15-10-21(3,4)11-16(24)19(15)18(17)14-7-6-8-22-12-14/h6-8,12,17-18H,5,9-11H2,1-4H3 |
| InChIKey | BUNHOQIATLWVMQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17341 (CHEBI:105980) is a cyclohexenones (CHEBI:48953) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17341 | LINCS |