Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000081215 | Bronze | Spectra&matches&to&compound&Massetolide&B&(WLIP/Viscosin/Massetolide&molecular&family) |
COMPOUND NPA019821
PROPERTIES
| NPAID | NPA019821 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Massetolide B |
| FORMULA | C56H99N9O16 |
| MOLECULAR WEIGHT (Da) | 1154.4550 |
| ACCURATE MASS (Da) | 1153.7210 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | DTEBAJZTWHMPEF-ZYLPFPQOSA-N |
| InChI | InChI=1S/C56H99N9O16/c1-13-16-17-18-19-20-21-36(68)27-43(69)57-38(24-30(4)5)49(73)58-37(22-23-44(70)71)48(72)65-47-35(12)81-56(80)46(34(11)15-3)64-53(77)42(29-67)62-50(74)39(25-31(6)7)59-52(76)41(28-66)61-51(75)40(26-32(8)9)60-54(78)45(33(10)14-2)63-55(47)79/h30-42,45-47,66-68H,13-29H2,1-12H3,(H,57,69)(H,58,73)(H,59,76)(H,60,78)(H,61,75)(H,62,74)(H,63,79)(H,64,77)(H,65,72)(H,70,71)/t33?,34?,35?,36-,37+,38-,39-,40-,41+,42+,45+,46-,47+/m0/s1 |
| SMILES | CCCCCCCC[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 |
