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CHEBI:225000 - Aphidicolin A65
| Formula | C21H34O5 |
| Net Charge | 0 |
| Average Mass | 366.498 |
| Monoisotopic Mass | 366.24062 |
| SMILES | CC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@](C)(O)[C@H](O)CC[C@@]13C |
| InChI | InChI=1S/C21H34O5/c1-13(22)26-12-21(25)9-8-20-11-15(21)10-14(20)4-5-16-18(20,2)7-6-17(23)19(16,3)24/h14-17,23-25H,4-12H2,1-3H3/t14-,15+,16+,17+,18-,19-,20-,21-/m0/s1 |
| InChIKey | XEMFUWNKYXGJQS-KQBFAJRKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Botryotinia (ncbitaxon:40558) | - | PubMed (31403790) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aphidicolin A65 (CHEBI:225000) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| [(1S,2S,5R,6S,7R,10S,12R,13R)-5,6,13-trihydroxy-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 78966232 | ChemSpider |