EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H12N2O2 |
| Net Charge | 0 |
| Average Mass | 168.196 |
| Monoisotopic Mass | 168.08988 |
| SMILES | CC(C)Cc1cc(C(=O)O)nn1 |
| InChI | InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(8(11)12)10-9-6/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | OCAWPZXEVMMJMI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid (CHEBI:123310) is a pyrazoles (CHEBI:26410) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34753 | LINCS |