Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012805
PROPERTIES
| NPAID | NPA012805 |
|---|---|
| CLUSTER ID | 3972 |
| NODE ID | 2963 |
| NAME | Victorin E |
| FORMULA | C31H44Cl4N6O13 |
| MOLECULAR WEIGHT (Da) | 850.5340 |
| ACCURATE MASS (Da) | 848.1720 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cochliobolus |
| ORIGIN SPECIES | victoriae |
| InChIKey | OFSPGCBDZZVUAR-SAIOMJCNSA-N |
| InChI | InChI=1S/C31H44Cl4N6O13/c1-11(2)23-21(27(48)39-16(10-32)25(46)38-15(29(50)51)8-13-19(54-23)9-18(43)22(13)44)41-26(47)20(17(42)5-4-6-36)40-24(45)14(37-28(49)30(52)53)7-12(3)31(33,34)35/h10-12,14-15,17-18,20-21,23,30,42-43,52-53H,4-9,36H2,1-3H3,(H,37,49)(H,38,46)(H,39,48)(H,40,45)(H,41,47)(H,50,51)/b16-10+/t12?,14-,15?,17+,18?,20-,21?,23-/m0/s1 |
| SMILES | CC(C)[C@H]1C(C(=O)N/C(=C/Cl)/C(=O)NC(CC2=C(O1)CC(C2=O)O)C(=O)O)NC(=O)[C@H]([C@@H](CCCN)O)NC(=O)[C@H](CC(C)C(Cl)(Cl)Cl)NC(=O)C(O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wolpert, T. J.; Macko, V.; Acklin, W.; Jaun, B.; Arigoni, D. Structure of minor host-selective toxins from Cochliobolus victoriae. Experientia 1986 42 (11-12) 1296-1299. | ||
|---|---|---|---|
| DOI | 10.1007/bf01946431 | PMID | - |
