EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H11NO |
| Net Charge | 0 |
| Average Mass | 149.193 |
| Monoisotopic Mass | 149.08406 |
| SMILES | [H]c1nc([H])c(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])c([H])c1[H] |
| InChI | InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3 |
| InChIKey | JORUAYHMUWRFNM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-PYRIDIN-3-YLBUTAN-1-ONE (CHEBI:44724) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 1-pyridin-3-ylbutan-1-one | PDBeChem |
| 1-PYRIDIN-3-YLBUTAN-1-ONE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| PBO | PDBeChem |