Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004655
PROPERTIES
| NPAID | NPA004655 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Ichthyopeptin B |
| FORMULA | C49H70N8O13 |
| MOLECULAR WEIGHT (Da) | 979.1420 |
| ACCURATE MASS (Da) | 978.5062 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | ichthyoblabe |
| InChIKey | ISXVVVPYLBADKW-BTUXARFWSA-N |
| InChI | InChI=1S/C49H70N8O13/c1-9-27(6)41-48(68)56(8)35(22-29-13-11-10-12-14-29)44(64)54-39(26(4)5)49(69)70-28(7)40(46(66)53-33(21-25(2)3)42(62)51-32-19-20-38(61)57(41)47(32)67)55-43(63)34(24-37(50)60)52-45(65)36(59)23-30-15-17-31(58)18-16-30/h10-18,25-28,32-36,38-41,58-59,61H,9,19-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t27-,28+,32-,33-,34-,35?,36?,38+,39-,40-,41-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N(C(C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N1C2=O)O)CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)O)C)C(C)C)CC4=CC=CC=C4)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zainuddin, Elmi N.; Mentel, Renate; Wray, Victor; Jansen, Rolf; Nimtz, Manfred; Lalk, Michael; Mundt, Sabine Cyclic depsipeptides, ichthyopeptins A and B, from Microcystis ichthyoblabe Journal of Natural Products 2007 70 (7) 1084-1088. | ||
|---|---|---|---|
| DOI | 10.1021/np060303s | PMID | 17602586 |
