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CHEBI:212484 - Pestaloisocoumarin B
| Formula | C14H16O6 |
| Net Charge | 0 |
| Average Mass | 280.276 |
| Monoisotopic Mass | 280.09469 |
| SMILES | CC(=O)OCc1ccc2c(c1O)C(=O)O[C@H](C)[C@]2(C)O |
| InChI | InChI=1S/C14H16O6/c1-7-14(3,18)10-5-4-9(6-19-8(2)15)12(16)11(10)13(17)20-7/h4-5,7,16,18H,6H2,1-3H3/t7-,14+/m1/s1 |
| InChIKey | XCCVCEAKPGHBFU-UOWDBTKRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis heterocornis (ncbitaxon:285113) | - | PubMed (28335391) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pestaloisocoumarin B (CHEBI:212484) is a 2-benzopyran (CHEBI:38444) |
| IUPAC Name |
|---|
| [(3R,4R)-4,8-dihydroxy-3,4-dimethyl-1-oxo-3H-isochromen-7-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 61362062 | ChemSpider |