EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12O7 |
| Net Charge | 0 |
| Average Mass | 280.232 |
| Monoisotopic Mass | 280.05830 |
| SMILES | O=C(O)CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C13H12O7/c14-9-4-1-8(2-5-9)3-6-12(17)20-10(13(18)19)7-11(15)16/h1-6,10,14H,7H2,(H,15,16)(H,18,19)/b6-3+ |
| InChIKey | QVPHNABUSKBIMG-ZZXKWVIFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}succinic acid (CHEBI:139431) is a cinnamate ester (CHEBI:36087) |
| Manual Xrefs | Databases |
|---|---|
| 22913548 | ChemSpider |