EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20N2O6 |
| Net Charge | 0 |
| Average Mass | 348.355 |
| Monoisotopic Mass | 348.13214 |
| SMILES | CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1OCC |
| InChI | InChI=1S/C17H20N2O6/c1-4-22-13-7-6-12(9-14(13)23-5-2)17(21)24-10-16(20)18-15-8-11(3)25-19-15/h6-9H,4-5,10H2,1-3H3,(H,18,19,20) |
| InChIKey | DGIXGIISUHFSPW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-diethoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester (CHEBI:114438) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25899 | LINCS |