EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H21N3O2 |
| Net Charge | 0 |
| Average Mass | 431.495 |
| Monoisotopic Mass | 431.16338 |
| SMILES | COc1cccc(C2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 |
| InChI | InChI=1S/C28H21N3O2/c1-32-21-12-7-9-19(16-21)24-25-22-13-6-5-8-18(22)14-15-23(25)33-28-26(24)27(29)31(17-30-28)20-10-3-2-4-11-20/h2-17,24,29H,1H3 |
| InChIKey | FOFZSBYICLUIEN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1891 (CHEBI:91948) is a organic heterotricyclic compound (CHEBI:26979) |
| LSM-1891 (CHEBI:91948) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1891 | LINCS |