Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016088
PROPERTIES
| NPAID | NPA016088 |
|---|---|
| CLUSTER ID | 5163 |
| NODE ID | 3699 |
| NAME | Marinomycin C |
| FORMULA | C58H76O14 |
| MOLECULAR WEIGHT (Da) | 997.2320 |
| ACCURATE MASS (Da) | 996.5235 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinispora |
| ORIGIN SPECIES | sp. |
| InChIKey | GXBIDOSKEKEFEF-LBJGFFSDSA-N |
| InChI | InChI=1S/C58H76O14/c1-39-19-11-7-5-9-13-21-43-23-15-29-53(67)55(43)57(69)72-52(34-42(4)60)38-48(64)28-18-26-46(62)36-50(66)32-40(2)20-12-8-6-10-14-22-44-24-16-30-54(68)56(44)58(70)71-51(33-41(3)59)37-47(63)27-17-25-45(61)35-49(65)31-39/h5-26,29-30,41-42,45-52,59-68H,27-28,31-38H2,1-4H3/b9-5+,10-6+,11-7+,12-8+,21-13-,22-14+,25-17+,26-18+,39-19+,40-20+/t41-,42-,45-,46-,47+,48+,49+,50+,51+,52+/m1/s1 |
| SMILES | C[C@@H](O)C[C@H]1C[C@@H](O)C\C=C\[C@@H](O)C[C@@H](O)C\C(C)=C\C=C\C=C\C=C/C2=C(C(O)=CC=C2)C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C\C=C\[C@@H](O)C[C@@H](O)C\C(C)=C\C=C\C=C\C=C\C2=C(C(O)=CC=C2)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kwon, Hak Cheol; Kauffman, Christopher A.; Jensen, Paul R.; Fenical, William Marinomycins A-D, antitumor-antibiotics of a new structure class from a marine actinomycete of the recently discovered genus "Marinispora" Journal of the American Chemical Society 2006 128 (5) 1622-1632. | ||
|---|---|---|---|
| DOI | 10.1021/ja0558948 | PMID | 16448135 |
