Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001630 | Gold | 1 |
| CCMSLIB00000001626 | Gold | 1 |
| CCMSLIB00000001628 | Gold | 1 |
| CCMSLIB00000001636 | Gold | 1 |
| CCMSLIB00000001632 | Gold | 1 |
| CCMSLIB00000001634 | Gold | 1 |
COMPOUND NPA027363
PROPERTIES
| NPAID | NPA027363 |
|---|---|
| CLUSTER ID | 839 |
| NODE ID | 728 |
| NAME | Lyngbyabellin A |
| FORMULA | C29H40Cl2N4O7S2 |
| MOLECULAR WEIGHT (Da) | 691.7000 |
| ACCURATE MASS (Da) | 690.1715 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | VJSNPXXBMRWPEJ-CEDBRAGKSA-N |
| InChI | InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t15-,18-,20-,21+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)C2=CSC(=N2)[C@H](C(C)(C)O)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)C2=CSC1=N2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luesch H; Yoshida WY; Moore RE; Paul VJ; Mooberry SL Isolation, structure determination, and biological activity of Lyngbyabellin A from the marine cyanobacterium lyngbya majuscula. Journal of Natural Products 2000 63 (5) 611-615. | ||
|---|---|---|---|
| DOI | 10.1021/np990543q | PMID | 10843570 |
