EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H24N6O2 |
| Net Charge | 0 |
| Average Mass | 512.573 |
| Monoisotopic Mass | 512.19607 |
| SMILES | Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 |
| InChI | InChI=1S/C31H24N6O2/c1-19-27-28(20-16-17-25(38)26(39)18-20)36-24-15-9-8-14-23(24)33-29(32-21-10-4-2-5-11-21)31(36)34-30(27)37(35-19)22-12-6-3-7-13-22/h2-18,28,38-39H,1H3,(H,32,33) |
| InChIKey | NWCSVPLYCSMGDA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16826 (CHEBI:105463) is a pyrazoles (CHEBI:26410) |
| LSM-16826 (CHEBI:105463) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16826 | LINCS |