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CHEBI:206812 - 16-deoxycucurbitacin B
| Formula | C32H46O7 |
| Net Charge | 0 |
| Average Mass | 542.713 |
| Monoisotopic Mass | 542.32435 |
| SMILES | CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
| InChI | InChI=1S/C32H46O7/c1-18(33)39-27(2,3)14-13-24(35)32(9,38)23-12-15-29(6)22-11-10-19-20(16-21(34)26(37)28(19,4)5)31(22,8)25(36)17-30(23,29)7/h10,13-14,20-23,34,38H,11-12,15-17H2,1-9H3/b14-13+/t20-,21+,22+,23+,29+,30-,31+,32-/m1/s1 |
| InChIKey | BXYMOPHDFDLMEA-LTFRKHHZSA-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) |
| 16-deoxycucurbitacin B (CHEBI:206812) is a cucurbitacin (CHEBI:16219) |
| IUPAC Name |
|---|
| [(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,17S)-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 17257448 | ChemSpider |