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CHEBI:225094 - 18-deoxyleucopaxillone A
| Formula | C34H54O6 |
| Net Charge | 0 |
| Average Mass | 558.800 |
| Monoisotopic Mass | 558.39204 |
| SMILES | CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C |
| InChI | InChI=1S/C34H54O6/c1-20(26(39-21(2)35)19-29(31(6,7)38)40-22(3)36)23-15-16-34(10)27-13-11-24-25(12-14-28(37)30(24,4)5)32(27,8)17-18-33(23,34)9/h11,20,23,25-27,29,38H,12-19H2,1-10H3/t20-,23+,25+,26+,27+,29+,32-,33+,34-/m0/s1 |
| InChIKey | FPMMXOUBTPOZNW-SPYCCOATSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Leucopaxillus gentianeus (ncbitaxon:181998) | - | PubMed (17190463) |
| Roles Classification |
|---|
| Biological Role: | allelochemical A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 18-deoxyleucopaxillone A (CHEBI:225094) is a cucurbitacin (CHEBI:16219) |
| IUPAC Name |
|---|
| [(2S,3R,5R)-5-acetyloxy-6-hydroxy-6-methyl-2-[(8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-oxo-1,2,7,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 17257447 | ChemSpider |