EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:120887 - 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
| Formula | C16H18BrNO5 |
| Net Charge | 0 |
| Average Mass | 384.226 |
| Monoisotopic Mass | 383.03683 |
| SMILES | COCCn1c(C)cc(C(=O)COC(=O)c2ccc(Br)o2)c1C |
| InChI | InChI=1S/C16H18BrNO5/c1-10-8-12(11(2)18(10)6-7-21-3)13(19)9-22-16(20)14-4-5-15(17)23-14/h4-5,8H,6-7,9H2,1-3H3 |
| InChIKey | XXVVYSHKWQZBNI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:120887) has functional parent 2-furoic acid (CHEBI:30845) |
| 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:120887) is a carboxylic ester (CHEBI:33308) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32330 | LINCS |