Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016624
PROPERTIES
| NPAID | NPA016624 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin KT608B |
| FORMULA | C32H44N6O6 |
| MOLECULAR WEIGHT (Da) | 608.7400 |
| ACCURATE MASS (Da) | 608.3322 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | HYPWKJJQJSEUDS-BYSSPFSSSA-N |
| InChI | InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24-,25-,26-,27-,28-/m1/s1 |
| SMILES | C1C[C@H](C[C@@H]2[C@H]1C[C@@H](N2C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)O)O)C(=O)NCCCCN=C(N)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lifshits, Marina; Carmeli, Shmuel Metabolites of Microcystis aeruginosa bloom material from Lake Kinneret, Israel Journal of Natural Products 2012 75 (2) 209-219. | ||
|---|---|---|---|
| DOI | 10.1021/np200909x | PMID | 22280481 |
