EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H22N2O |
| Net Charge | 0 |
| Average Mass | 414.508 |
| Monoisotopic Mass | 414.17321 |
| SMILES | N=c1c2c(ccn1Cc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1 |
| InChI | InChI=1S/C29H22N2O/c30-29-28-25(17-18-31(29)19-20-9-3-1-4-10-20)32-24-16-15-21-11-7-8-14-23(21)27(24)26(28)22-12-5-2-6-13-22/h1-18,26,30H,19H2 |
| InChIKey | OVXBGBPOTMGUGI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1786 (CHEBI:91861) is a organic heterotricyclic compound (CHEBI:26979) |
| LSM-1786 (CHEBI:91861) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1786 | LINCS |