EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N2O6 |
| Net Charge | 0 |
| Average Mass | 398.415 |
| Monoisotopic Mass | 398.14779 |
| SMILES | COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(O)c(OC)c2)cc1 |
| InChI | InChI=1S/C21H22N2O6/c1-12-18(20(25)29-11-13-4-7-15(27-2)8-5-13)19(23-21(26)22-12)14-6-9-16(24)17(10-14)28-3/h4-10,19,24H,11H2,1-3H3,(H2,22,23,26) |
| InChIKey | ITNSGLCHRFJDOV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester (CHEBI:123407) is a methoxybenzenes (CHEBI:51683) |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester (CHEBI:123407) is a phenols (CHEBI:33853) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34849 | LINCS |