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CHEBI:204206 - Vaccinol B
| Formula | C17H20O3 |
| Net Charge | 0 |
| Average Mass | 272.344 |
| Monoisotopic Mass | 272.14124 |
| SMILES | CC(C)=CCc1ccc(O)c2c1C=C[C@H]1O[C@@H]2O[C@H]1C |
| InChI | InChI=1S/C17H20O3/c1-10(2)4-5-12-6-8-14(18)16-13(12)7-9-15-11(3)19-17(16)20-15/h4,6-9,11,15,17-18H,5H2,1-3H3/t11-,15+,17-/m0/s1 |
| InChIKey | SIHDWOBVGPXLHQ-CXMBCZLWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis (ncbitaxon:37840) | - | DOI (10.1016/j.tet.2014.10.056) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Vaccinol B (CHEBI:204206) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| (1S,10R,11S)-11-methyl-6-(3-methylbut-2-enyl)-12,13-dioxatricyclo[8.2.1.02,7]trideca-2,4,6,8-tetraen-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 34981941 | ChemSpider |