EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12O5 |
| Net Charge | 0 |
| Average Mass | 236.223 |
| Monoisotopic Mass | 236.06847 |
| SMILES | CC/C(=C\C=C\C1=C(C)C(=O)OC1=O)C(=O)O |
| InChI | InChI=1S/C12H12O5/c1-3-8(10(13)14)5-4-6-9-7(2)11(15)17-12(9)16/h4-6H,3H2,1-2H3,(H,13,14)/b6-4+,8-5+ |
| InChIKey | CEZITUXGGUVZCK-HLQBBKRNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Xylaria telfairii (ncbitaxon:477509) | - | DOI (10.1002/jlac.199619960915) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-didehydrotelfairic anhydride [1′E,3′E)-2-(4-carboxyhexa-1,3-dienyl)-3 methylmaleic anhydride (CHEBI:204112) is a monoterpenoid (CHEBI:25409) |
| IUPAC Name |
|---|
| (2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxouran-3-yl)penta-2,4-dienoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74011994 | ChemSpider |