Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000071756 | Gold | 2 |
COMPOUND NPA001782
PROPERTIES
| NPAID | NPA001782 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin C |
| FORMULA | C47H74N8O12 |
| MOLECULAR WEIGHT (Da) | 943.1530 |
| ACCURATE MASS (Da) | 942.5426 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. PCC 7806 |
| InChIKey | QOZZMIMTOTZWNP-KWOQDFNWSA-N |
| InChI | InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Martin; Oberer; Ino; Konig; Busch; Weckesser Cyanopeptolins, new depsipeptides from the cyanobacterium Microcystis sp. PCC 7806 Journal of Antibiotics 1993 46 (10) 1550-1556. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1550 | PMID | 8244882 |
