EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:182672 - 6-(1,2-Dihydroxy-5,6-diacetoxy-3-heptenyl)-5,6-dihydro-2H-pyran-2-one
| Formula | C16H22O8 |
| Net Charge | 0 |
| Average Mass | 342.344 |
| Monoisotopic Mass | 342.13147 |
| SMILES | CC(=O)OC(C)C(/C=C/C(O)C(O)C1CC=CC(=O)O1)OC(C)=O |
| InChI | InChI=1S/C16H22O8/c1-9(22-10(2)17)13(23-11(3)18)8-7-12(19)16(21)14-5-4-6-15(20)24-14/h4,6-9,12-14,16,19,21H,5H2,1-3H3/b8-7+ |
| InChIKey | RAZHULSADOGMPF-BQYQJAHWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(1,2-Dihydroxy-5,6-diacetoxy-3-heptenyl)-5,6-dihydro-2H-pyran-2-one (CHEBI:182672) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 22913242 | ChemSpider |