EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O5 |
| Net Charge | 0 |
| Average Mass | 224.212 |
| Monoisotopic Mass | 224.06847 |
| SMILES | O=C/C=C/C=C1/C(=O)O[C@H](/C=C/CO)[C@H]1O |
| InChI | InChI=1S/C11H12O5/c12-6-2-1-4-8-10(14)9(5-3-7-13)16-11(8)15/h1-6,9-10,13-14H,7H2/b2-1+,5-3+,8-4+/t9-,10+/m1/s1 |
| InChIKey | CBOVMILAWSSPKZ-ISKCKYDESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Eutypella (ncbitaxon:140192) | - | PubMed (19739600) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Eutypellin A (CHEBI:224612) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (E,4E)-4-[(4S,5R)-4-hydroxy-5-[(E)-3-hydroxyprop-1-enyl]-2-oxooxolan-3-ylidene]but-2-enal |
| Manual Xrefs | Databases |
|---|---|
| 24531944 | ChemSpider |