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CHEBI:224879 - Aphidicolin A42
| Formula | C22H32O5 |
| Net Charge | 0 |
| Average Mass | 376.493 |
| Monoisotopic Mass | 376.22497 |
| SMILES | CC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C=C2C=C[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13C |
| InChI | InChI=1S/C22H32O5/c1-14(24)27-13-22(26)9-8-21-11-16(22)10-15(21)4-5-17-19(2,12-23)18(25)6-7-20(17,21)3/h4-5,10,16-18,23,25-26H,6-9,11-13H2,1-3H3/t16-,17+,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | YSZOPKFZKQTCBL-ALHBQKHBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Botryotinia (ncbitaxon:40558) | - | PubMed (31403790) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aphidicolin A42 (CHEBI:224879) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| [(1R,2S,5R,6R,7R,12S,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadeca-8,10-dienyl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 78966209 | ChemSpider |