EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N2O3 |
| Net Charge | 0 |
| Average Mass | 312.369 |
| Monoisotopic Mass | 312.14739 |
| SMILES | COC(=O)C1C(C)=NC2=C(C(=O)CCC2)C1c1cccc(C)n1 |
| InChI | InChI=1S/C18H20N2O3/c1-10-6-4-7-13(19-10)17-15(18(22)23-3)11(2)20-12-8-5-9-14(21)16(12)17/h4,6-7,15,17H,5,8-9H2,1-3H3 |
| InChIKey | KEVKIIUKHWTMSN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-33021 (CHEBI:121578) is a cyclohexenones (CHEBI:48953) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33021 | LINCS |