Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000071755 | Gold | 2 |
COMPOUND NPA006622
PROPERTIES
| NPAID | NPA006622 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin B |
| FORMULA | C46H72N8O12 |
| MOLECULAR WEIGHT (Da) | 929.1260 |
| ACCURATE MASS (Da) | 928.5270 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. PCC 7806 |
| InChIKey | KSVGOBQTQGOLQM-WBJGGQTMSA-N |
| InChI | InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31+,32+,33+,34+,36-,38+,39+/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)CCCCN)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 |
