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CHEBI:221526 - Speciosin O
| Formula | C13H16O6 |
| Net Charge | 0 |
| Average Mass | 268.265 |
| Monoisotopic Mass | 268.09469 |
| SMILES | CC(=O)OCC(C)(O)C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O |
| InChI | InChI=1S/C13H16O6/c1-8(14)18-7-12(2,17)5-6-13-10(16)4-3-9(15)11(13)19-13/h3-4,9-11,15-17H,7H2,1-2H3/t9-,10-,11+,12?,13-/m0/s1 |
| InChIKey | YWMRWOLAMZENAG-UVYIHGJDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hexagonia (ncbitaxon:114778) | - | PubMed (21477823) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Speciosin O (CHEBI:221526) is a ynone (CHEBI:51723) |
| IUPAC Name |
|---|
| [4-[(1S,2S,5S,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-hydroxy-2-methylbut-3-ynyl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 78441193 | ChemSpider |