EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20O6 |
| Net Charge | 0 |
| Average Mass | 308.330 |
| Monoisotopic Mass | 308.12599 |
| SMILES | CC1CCC(=O)/C=C/C(=O)OC(C)CCC(=O)/C=C/C(=O)O1 |
| InChI | InChI=1S/C16H20O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-12H,3-6H2,1-2H3/b9-7+,10-8+ |
| InChIKey | PJHRIHGUXQTQLU-FIFLTTCUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Microbotryum violaceum (ncbitaxon:5272) | - | DOI (10.1271/nogeikagaku1924.35.3_257) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pyrenophorin (CHEBI:203067) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone |
| Manual Xrefs | Databases |
|---|---|
| 4522689 | ChemSpider |