EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N2O4 |
| Net Charge | 0 |
| Average Mass | 276.292 |
| Monoisotopic Mass | 276.11101 |
| SMILES | CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O |
| InChI | InChI=1S/C14H16N2O4/c1-8(17)16(19)12-10-6-9(7-15)4-5-11(10)20-14(2,3)13(12)18/h4-6,12-13,18-19H,1-3H3/t12-,13+/m1/s1 |
| InChIKey | IWTCFIIOUXJOOV-OLZOCXBDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-N-hydroxyacetamide (CHEBI:92788) is a 1-benzopyran (CHEBI:38443) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2992 | LINCS |