EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O3 |
| Net Charge | 0 |
| Average Mass | 336.391 |
| Monoisotopic Mass | 336.14739 |
| SMILES | CC(=O)C1C(=O)[C@@H]2[C@H]3c4cnc5cccc(c45)C[C@H]3C(C)(C)N2C1=O |
| InChI | InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,14,16-17,21H,7H2,1-3H3/t12-,14?,16+,17+/m1/s1 |
| InChIKey | TZCOBUQKVNFIQF-ARUUDZKJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1306 (CHEBI:91520) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1306 | LINCS |