EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:79568 - 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
| Formula | C16H11NO4 |
| Net Charge | 0 |
| Average Mass | 281.267 |
| Monoisotopic Mass | 281.06881 |
| SMILES | CC(=O)Oc1ccc2cc(-c3cccnc3)c(=O)oc2c1 |
| InChI | InChI=1S/C16H11NO4/c1-10(18)20-13-5-4-11-7-14(12-3-2-6-17-9-12)16(19)21-15(11)8-13/h2-9H,1H3 |
| InChIKey | XUCYZNVGWPYGKD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one (CHEBI:79568) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| C15048 | KEGG COMPOUND |