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CHEBI:222112 - Pestalotiopyrone J
| Formula | C14H18O8 |
| Net Charge | 0 |
| Average Mass | 314.290 |
| Monoisotopic Mass | 314.10017 |
| SMILES | COc1cc(/C(C)=C/C(=O)OC[C@@H](O)[C@H](O)CO)oc(=O)c1 |
| InChI | InChI=1S/C14H18O8/c1-8(12-4-9(20-2)5-14(19)22-12)3-13(18)21-7-11(17)10(16)6-15/h3-5,10-11,15-17H,6-7H2,1-2H3/b8-3+/t10-,11-/m1/s1 |
| InChIKey | UGOFETTZSAYSFH-XBFWRGBKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis virgatula (ncbitaxon:290289) | - | DOI (10.1016/j.tetlet.2013.04.031) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pestalotiopyrone J (CHEBI:222112) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| [(2R,3R)-2,3,4-trihydroxybutyl] (E)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 30770833 | ChemSpider |