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CHEBI:216659 - 2-deoxy-11-epi-12-acetyl-3 alpha-hydroxysambucoin
| Formula | C17H26O4 |
| Net Charge | 0 |
| Average Mass | 294.391 |
| Monoisotopic Mass | 294.18311 |
| SMILES | CC(=O)O[C@]12CO[C@@H]3C=C(C)CC[C@]3(C)[C@@]1(C)C[C@@H](O)C2 |
| InChI | InChI=1S/C17H26O4/c1-11-5-6-15(3)14(7-11)20-10-17(21-12(2)18)9-13(19)8-16(15,17)4/h7,13-14,19H,5-6,8-10H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1 |
| InChIKey | JOSWSHMILLNSHR-NQNKBUKLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusariumspeciesrotrichioides (ncbitaxon:5514) | - | DOI (10.1021/np50101a004) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-deoxy-11-epi-12-acetyl-3 alpha-hydroxysambucoin (CHEBI:216659) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| [(2R,3aS,5aR,9aR,9bR)-2-hydroxy-7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromen-3a-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 24714731 | ChemSpider |