Compounds
| ID | Spectrum Quality | Annotated Name | 
|---|
COMPOUND NPA002420
PROPERTIES
| NPAID | NPA002420 | 
|---|---|
| CLUSTER ID | 450 | 
| NODE ID | 97 | 
| NAME | Ossamycin | 
| FORMULA | C49H85NO14 | 
| MOLECULAR WEIGHT (Da) | 912.2120 | 
| ACCURATE MASS (Da) | 911.5970 | 
| ORIGIN ORGANISM TYPE | Bacterium | 
| ORIGIN GENUS | Streptomyces | 
| ORIGIN SPECIES | hygroscopicus var. ossamyceticus | 
| InChIKey | XGECDDPXIKFBTE-XZOPBUQZSA-N | 
| InChI | InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15?,25-22+/t30-,31+,32-,33+,34+,35+,36-,37-,38-,40-,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1 | 
| SMILES | CC[C@H](C[C@H]1CCC[C@]2(O1)C[C@H]3[C@@H]([C@@H](O2)C[C@]4([C@@H](CC(O4)(C)C)C=CCCCCC[C@@]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@](/C=C/C(=O)O3)(C)O)O)C)O)O[C@H]5CC[C@@H]([C@@H](O5)C)N(C)C)O)(C)O)O)C)O | 
ORIGINAL ISOLATION REFERENCE
| CITATION | Kirst, Herbert A.; Mynderse, Jon S.; Martin, James W.; Baker, Patrick J.; Paschal, Jonathan W.; Rios Steiner, Jorge L.; Lobkovsky, Emil; Clardy, Jon Structure of the spiroketal-macrolide ossamycin Journal of Antibiotics 1996 49 (2) 162-167. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.162 | PMID | 8621357 | 
 
             
                             
                            