Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577584 | Gold | 3 |
COMPOUND NPA020134
PROPERTIES
| NPAID | NPA020134 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Massetolide C |
| FORMULA | C57H101N9O16 |
| MOLECULAR WEIGHT (Da) | 1168.4820 |
| ACCURATE MASS (Da) | 1167.7366 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | QLBHHKHBJWIIDN-LZLHUAFVSA-N |
| InChI | InChI=1S/C57H101N9O16/c1-13-16-17-18-19-20-21-22-37(69)28-44(70)58-39(25-31(4)5)50(74)59-38(23-24-45(71)72)49(73)66-48-36(12)82-57(81)47(35(11)15-3)65-54(78)43(30-68)63-51(75)40(26-32(6)7)60-53(77)42(29-67)62-52(76)41(27-33(8)9)61-55(79)46(34(10)14-2)64-56(48)80/h31-43,46-48,67-69H,13-30H2,1-12H3,(H,58,70)(H,59,74)(H,60,77)(H,61,79)(H,62,76)(H,63,75)(H,64,80)(H,65,78)(H,66,73)(H,71,72)/t34?,35?,36?,37-,38+,39-,40-,41-,42+,43+,46+,47-,48+/m0/s1 |
| SMILES | CCCCCCCCC[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1C(OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)CC)CC(C)C)CO)CC(C)C)CO)C(C)CC)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gerard, Jeff; Lloyd, Richard; Barsby, Todd; Haden, Paul; Kelly, Michael T.; Andersen, Raymond J. Massetolides A-H, Antimycobacterial Cyclic Depsipeptides Produced by Two Pseudomonads Isolated from Marine Habitats Journal of Natural Products 1997 60 (3) 223-229. | ||
|---|---|---|---|
| DOI | 10.1021/np9606456 | PMID | 9157190 |
