Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014493
PROPERTIES
| NPAID | NPA014493 |
|---|---|
| CLUSTER ID | 5163 |
| NODE ID | 3699 |
| NAME | Marinomycin D |
| FORMULA | C59H78O14 |
| MOLECULAR WEIGHT (Da) | 1011.2590 |
| ACCURATE MASS (Da) | 1010.5392 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinispora |
| ORIGIN SPECIES | sp. |
| InChIKey | VKKOVWWTIIRQQA-RJCVZUPRSA-N |
| InChI | InChI=1S/C59H78O14/c1-5-45(61)37-53-39-49(65)29-19-27-47(63)36-51(67)33-41(3)20-12-8-6-10-14-22-43-24-16-30-54(68)56(43)58(70)72-52(34-42(4)60)38-48(64)28-18-26-46(62)35-50(66)32-40(2)21-13-9-7-11-15-23-44-25-17-31-55(69)57(44)59(71)73-53/h6-27,30-31,42,45-53,60-69H,5,28-29,32-39H2,1-4H3/t42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m1/s1 |
| SMILES | CC[C@H](C[C@H]1C[C@H](CC=C[C@H](C[C@H](CC(=CC=CC=CC=CC2=C(C(=CC=C2)O)C(=O)O[C@H](C[C@H](CC=C[C@H](C[C@H](CC(=CC=CC=CC=CC3=C(C(=CC=C3)O)C(=O)O1)C)O)O)O)C[C@@H](C)O)C)O)O)O)O |
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 |
