EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13N3O2 |
| Net Charge | 0 |
| Average Mass | 267.288 |
| Monoisotopic Mass | 267.10078 |
| SMILES | Cc1c(-c2cc(C(=O)O)c3ccccc3n2)cnn1C |
| InChI | InChI=1S/C15H13N3O2/c1-9-12(8-16-18(9)2)14-7-11(15(19)20)10-5-3-4-6-13(10)17-14/h3-8H,1-2H3,(H,19,20) |
| InChIKey | HIAGTHWYOVNDNJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinecarboxylic acid (CHEBI:120051) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31494 | LINCS |