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CHEBI:228091 - 1-deacetylpallidopenilline B
| Formula | C17H26O5 |
| Net Charge | 0 |
| Average Mass | 310.390 |
| Monoisotopic Mass | 310.17802 |
| SMILES | CC(=O)OC[C@H]1CC[C@@H]2[C@@H](C(=O)CCO)[C@](C)(O)C=C[C@H]2C1 |
| InChI | InChI=1S/C17H26O5/c1-11(19)22-10-12-3-4-14-13(9-12)5-7-17(2,21)16(14)15(20)6-8-18/h5,7,12-14,16,18,21H,3-4,6,8-10H2,1-2H3/t12-,13-,14-,16-,17+/m0/s1 |
| InChIKey | QKGBENBCVWCHAP-CUINURIISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium thomii (ncbitaxon:36647) | - | PubMed (28006908) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-deacetylpallidopenilline B (CHEBI:228091) is a β-hydroxy ketone (CHEBI:55380) |
| IUPAC Name |
|---|
| [(2S,4aS,5R,6R,8aR)-6-hydroxy-5-(3-hydroxypropanoyl)-6-methyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalen-2-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 60596904 | ChemSpider |