EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H12BrNO4 |
| Net Charge | 0 |
| Average Mass | 410.223 |
| Monoisotopic Mass | 408.99497 |
| SMILES | O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Br)o1 |
| InChI | InChI=1S/C20H12BrNO4/c21-18-9-8-17(25-18)19(23)22-14-6-3-5-12(10-14)15-11-13-4-1-2-7-16(13)26-20(15)24/h1-11H,(H,22,23) |
| InChIKey | LLNZVRCHUHIFMZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-bromo-N-[3-(2-oxo-1-benzopyran-3-yl)phenyl]-2-furancarboxamide (CHEBI:114937) is a isoflavonoid (CHEBI:50753) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26400 | LINCS |