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CHEBI:200618 - Vaccinol D
| Formula | C17H24O4 |
| Net Charge | 0 |
| Average Mass | 292.375 |
| Monoisotopic Mass | 292.16746 |
| SMILES | CC(C)=CCc1ccc(O)c2c1[C@H](O)C[C@H]([C@@H](C)O)OC2 |
| InChI | InChI=1S/C17H24O4/c1-10(2)4-5-12-6-7-14(19)13-9-21-16(11(3)18)8-15(20)17(12)13/h4,6-7,11,15-16,18-20H,5,8-9H2,1-3H3/t11-,15-,16-/m1/s1 |
| InChIKey | DAAIXDKHKPEZLL-HFBAOOFYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis (ncbitaxon:37840) | - | DOI (10.1016/j.tet.2014.10.056) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Vaccinol D (CHEBI:200618) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (3R,5R)-3-[(1R)-1-hydroxyethyl]-6-(3-methylbut-2-enyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol |
| Manual Xrefs | Databases |
|---|---|
| 78436639 | ChemSpider |