Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014566
PROPERTIES
| NPAID | NPA014566 |
|---|---|
| CLUSTER ID | 3972 |
| NODE ID | 2963 |
| NAME | Victorin B |
| FORMULA | C31H46Cl2N6O13 |
| MOLECULAR WEIGHT (Da) | 781.6440 |
| ACCURATE MASS (Da) | 780.2500 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cochliobolus |
| ORIGIN SPECIES | victoriae |
| InChIKey | QONZIYSJSHZYDF-ODCRBPDESA-N |
| InChI | InChI=1S/C31H46Cl2N6O13/c1-12(2)24-22(28(46)37-17(11-33)26(44)36-16(30(48)49)8-14-20(52-24)9-19(41)23(14)42)39-27(45)21(18(40)5-4-6-34)38-25(43)15(7-13(3)10-32)35-29(47)31(50)51/h11-13,15-16,18-19,21-22,24,31,40-41,50-51H,4-10,34H2,1-3H3,(H,35,47)(H,36,44)(H,37,46)(H,38,43)(H,39,45)(H,48,49)/b17-11+/t13?,15-,16?,18+,19?,21-,22?,24-/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)CCl)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 | - |
