Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018025
PROPERTIES
| NPAID | NPA018025 |
|---|---|
| CLUSTER ID | 1894 |
| NODE ID | 1527 |
| NAME | Cochinmicin II |
| FORMULA | C46H46ClN7O12 |
| MOLECULAR WEIGHT (Da) | 924.3640 |
| ACCURATE MASS (Da) | 923.2893 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbispora |
| ORIGIN SPECIES | sp. |
| InChIKey | SHHDTFPTYUGWHB-HCRLZTEMSA-N |
| InChI | InChI=1S/C46H46ClN7O12/c1-23-40(59)53-38(27-17-29(55)21-30(56)18-27)45(64)54-39(28-19-31(57)22-32(58)20-28)46(65)66-24(2)37(44(63)51-34(42(61)48-23)15-25-9-5-3-6-10-25)52-43(62)35(16-26-11-7-4-8-12-26)50-41(60)33-13-14-36(47)49-33/h3-14,17-24,34-35,37-39,49,55-58H,15-16H2,1-2H3,(H,48,61)(H,50,60)(H,51,63)(H,52,62)(H,53,59)(H,54,64)/t23-,24-,34?,35+,37-,38-,39+/m1/s1 |
| SMILES | C[C@@H]1[C@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)C2=CC(=CC(=C2)O)O)C3=CC(=CC(=C3)O)O)C)CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)C6=CC=C(N6)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zink, D; Hensens, O D; Lam, Y K; Reamer, R; Liesch, J M Cochinmicins, novel and potent cyclodepsipeptide endothelin antagonists from a Microbispora sp. II. Structure determination Journal of Antibiotics 1992 45 (11) 1717-1722. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1717 | PMID | 1468978 |
