EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13NO6 |
| Net Charge | 0 |
| Average Mass | 303.270 |
| Monoisotopic Mass | 303.07429 |
| SMILES | Cc1cc(=O)oc(C)c1C(=O)OCc1cccc([N+](=O)[O-])c1 |
| InChI | InChI=1S/C15H13NO6/c1-9-6-13(17)22-10(2)14(9)15(18)21-8-11-4-3-5-12(7-11)16(19)20/h3-7H,8H2,1-2H3 |
| InChIKey | MOAHRJZJGJYJFO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester (CHEBI:105834) has functional parent benzyl alcohol (CHEBI:17987) |
| 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester (CHEBI:105834) is a carboxylic ester (CHEBI:33308) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17195 | LINCS |