Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001258
PROPERTIES
| NPAID | NPA001258 |
|---|---|
| CLUSTER ID | 839 |
| NODE ID | 728 |
| NAME | Lyngbyabellin B |
| FORMULA | C28H38Cl2N4O7S2 |
| MOLECULAR WEIGHT (Da) | 677.6730 |
| ACCURATE MASS (Da) | 676.1559 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | AFYNXSMIBRNBEB-YSIASYRMSA-N |
| InChI | InChI=1S/C28H38Cl2N4O7S2/c1-14(2)19-22-33-16(13-42-22)24(37)40-17(9-8-10-28(7,29)30)26(3,4)25(38)41-20(27(5,6)39)23-32-15(12-43-23)21(36)31-11-18(35)34-19/h12-14,17,19-20,39H,8-11H2,1-7H3,(H,31,36)(H,34,35)/t17-,19-,20+/m0/s1 |
| SMILES | CC(C)[C@H]1C2=NC(=CS2)C(=O)O[C@H](C(C(=O)O[C@H](C3=NC(=CS3)C(=O)NCC(=O)N1)C(C)(C)O)(C)C)CCCC(C)(Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Milligan, K E; Marquez, B L; Williamson, R T; Gerwick, W H Lyngbyabellin B, a toxic and antifungal secondary metabolite from the marine cyanobacterium Lyngbya majuscula Journal of Natural Products 2000 63 (10) 1440-1443. | ||
|---|---|---|---|
| DOI | 10.1021/np000133y | PMID | 11076574 |
