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CHEBI:224869 - Aphidicolin A40
| Formula | C22H32O6 |
| Net Charge | 0 |
| Average Mass | 392.492 |
| Monoisotopic Mass | 392.21989 |
| SMILES | CC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C=C2CC[C@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@@]13C |
| InChI | InChI=1S/C22H32O6/c1-13(23)28-12-22(27)9-8-21-11-15(22)10-14(21)4-5-16-19(21,2)7-6-17(24)20(16,3)18(25)26/h10,15-17,24,27H,4-9,11-12H2,1-3H3,(H,25,26)/t15-,16-,17-,19+,20+,21+,22+/m1/s1 |
| InChIKey | FRMDUQCTSZKXQF-OARMXLMKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Botryotinia (ncbitaxon:40558) | - | PubMed (31403790) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aphidicolin A40 (CHEBI:224869) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| (1S,2S,5R,6S,7R,12S,13R)-13-(acetyloxymethyl)-5,13-dihydroxy-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-6-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78966207 | ChemSpider |