EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:221855 - Xialenone D
| Formula | C11H12O4 |
| Net Charge | 0 |
| Average Mass | 208.213 |
| Monoisotopic Mass | 208.07356 |
| SMILES | C=CCC1=C(O)C(=O)[C@]2(O)CCC(=O)[C@H]12 |
| InChI | InChI=1S/C11H12O4/c1-2-3-6-8-7(12)4-5-11(8,15)10(14)9(6)13/h2,8,13,15H,1,3-5H2/t8-,11-/m0/s1 |
| InChIKey | GTPAIRPVSKCYST-KWQFWETISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | DOI (10.1002/1099-0690(200007)2000:13<2401::aid-ejoc2401>3.0.co;2-y) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Xialenone D (CHEBI:221855) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| (3aS,6aR)-3a,5-dihydroxy-6-prop-2-enyl-3,6a-dihydro-2H-pentalene-1,4-dione |
| Manual Xrefs | Databases |
|---|---|
| 8855209 | ChemSpider |