EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12N2O2 |
| Net Charge | 0 |
| Average Mass | 204.229 |
| Monoisotopic Mass | 204.08988 |
| SMILES | Cc1c(O)c(=O)n(-c2ccccc2)n1C |
| InChI | InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3 |
| InChIKey | SKVPTPMWXJSBTF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone (CHEBI:94641) is a pyrazoles (CHEBI:26410) |
| 4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone (CHEBI:94641) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5608 | LINCS |
| HMDB0060878 | HMDB |