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 | COc1ccccc1C1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21 |
| InChI | InChI=1S/C28H21N3O2/c1-32-22-14-8-7-13-21(22)25-24-20-12-6-5-9-18(20)15-16-23(24)33-28-26(25)27(29)31(17-30-28)19-10-3-2-4-11-19/h2-17,25,29H,1H3 |
| InChIKey | XQQREQRWWSPKLO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1547 (CHEBI:91698) is a organic heterotricyclic compound (CHEBI:26979) |
| LSM-1547 (CHEBI:91698) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1547 | LINCS |