Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005656
PROPERTIES
| NPAID | NPA005656 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin 880 |
| FORMULA | C45H64N6O12 |
| MOLECULAR WEIGHT (Da) | 881.0370 |
| ACCURATE MASS (Da) | 880.4582 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | agardhii CYA 126/8 |
| InChIKey | AQKSWWARSJIVMX-LUSPZTBSSA-N |
| InChI | InChI=1S/C45H64N6O12/c1-8-25(3)36-45(61)63-27(5)37(49-41(57)34(24-52)62-7)42(58)46-31(20-17-28-15-18-30(53)19-16-28)39(55)47-32-21-22-35(54)51(43(32)59)38(26(4)9-2)44(60)50(6)33(40(56)48-36)23-29-13-11-10-12-14-29/h10-16,18-19,25-27,31-38,52-54H,8-9,17,20-24H2,1-7H3,(H,46,58)(H,47,55)(H,48,56)(H,49,57)/t25-,26-,27+,31-,32-,33-,34+,35+,36-,37-,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)[C@@H](C)CC)O)CCC4=CC=C(C=C4)O)NC(=O)[C@@H](CO)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Okumura, Hilary S; Philmus, Benjamin; Portmann, Cyril; Hemscheidt, Thomas K Homotyrosine-containing cyanopeptolins 880 and 960 and anabaenopeptins 908 and 915 from Planktothrix agardhii CYA 126/8 Journal of Natural Products 2009 72 (1) 172-176. | ||
|---|---|---|---|
| DOI | 10.1021/np800557m | PMID | 19115837 |
