Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478471 | Silver | Leptosin&A_130037 |
COMPOUND NPA012707
PROPERTIES
| NPAID | NPA012707 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Preussiadin B |
| FORMULA | C32H32N6O7S6 |
| MOLECULAR WEIGHT (Da) | 805.0450 |
| ACCURATE MASS (Da) | 804.0657 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Preussia |
| ORIGIN SPECIES | typharum |
| InChIKey | HEIXSBSYEOOAIS-ILQIMMDPSA-N |
| InChI | InChI=1S/C32H32N6O7S6/c1-14(2)30-26(45)38-22-28(15-9-5-8-12-18(15)34-22,19(40)31(38,48-47-30)25(44)36(30)4)29-16-10-6-7-11-17(16)33-21(29)37-23(42)27(13-39)35(3)24(43)32(37,20(29)41)49-51-50-46-27/h5-12,14,19-22,33-34,39-41H,13H2,1-4H3/t19-,20-,21-,22+,27+,28+,29-,30-,31-,32+/m0/s1 |
| SMILES | CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)[C@@]67[C@@H]([C@@]89C(=O)N([C@@](C(=O)N8[C@@H]6NC1=CC=CC=C71)(SSSS9)CO)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Du, Lin; Robles, Andrew J.; King, Jarrod B.; Mooberry, Susan L.; Cichewicz, Robert H. Cytotoxic dimeric epipolythiodiketopiperazines from the ascomycetous fungus Preussia typharum Journal of Natural Products 2014 77 (6) 1459-1466. | ||
|---|---|---|---|
| DOI | 10.1021/np5002253 | PMID | 24893224 |
