EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:81691 - 4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate
| Formula | C8H8O7 |
| Net Charge | 0 |
| Average Mass | 216.145 |
| Monoisotopic Mass | 216.02700 |
| SMILES | COC(=O)/C=C(\C=C(\O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C8H8O7/c1-15-6(10)3-4(7(11)12)2-5(9)8(13)14/h2-3,9H,1H3,(H,11,12)(H,13,14)/b4-3+,5-2+ |
| InChIKey | GMSSRLGBUSZBFV-JWVZGZSZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate (CHEBI:81691) is a carbonyl compound (CHEBI:36586) |
| Manual Xrefs | Databases |
|---|---|
| C18345 | KEGG COMPOUND |