Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003444
PROPERTIES
| NPAID | NPA003444 |
|---|---|
| CLUSTER ID | 951 |
| NODE ID | 819 |
| NAME | Salinamide B |
| FORMULA | C51H70ClN7O15 |
| MOLECULAR WEIGHT (Da) | 1056.6080 |
| ACCURATE MASS (Da) | 1055.4618 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | actinomycete |
| InChIKey | MXWLREHUFSKYRH-CHKOLDIQSA-N |
| InChI | InChI=1S/C51H70ClN7O15/c1-10-27(4)39-46(66)58-42-33-16-18-34(19-17-33)74-31(8)51(71,25-52)21-20-37(61)53-23-38(62)72-24-35(50(70)73-30(7)41(48(68)55-39)57-44(64)28(5)43(63)26(2)3)54-47(67)40(29(6)60)56-45(65)36(59(9)49(42)69)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,60,63,71H,10,22-25H2,1-9H3,(H,53,61)(H,54,67)(H,55,68)(H,56,65)(H,57,64)(H,58,66)/b21-20-/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1 |
| SMILES | CC[C@@H](C)[C@H]1C(=O)N[C@@H]2C3=CC=C(C=C3)O[C@H]([C@@](/C=C\C(=O)NCC(=O)OC[C@H](C(=O)O[C@H]([C@H](C(=O)N1)NC(=O)[C@@H](C)[C@H](C(C)C)O)C)NC(=O)[C@@H](NC(=O)[C@H](N(C2=O)C)CC4=CC=CC=C4)[C@H](C)O)(CCl)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Trischman, Jacqueline A.; Tapiolas, Dianne M.; Jensen, Paul R.; Dwight, Ryan; Fenical, William; McKee, Tawnya C.; Ireland, Chris M.; Stout, Thomas J.; Clardy, Jon Salinamides A and B: anti-inflammatory depsipeptides from a marine streptomycete Journal of the American Chemical Society 1994 116 (2) 757-758. | ||
|---|---|---|---|
| DOI | 10.1021/ja00081a042 | PMID | - |
