Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027556
PROPERTIES
| NPAID | NPA027556 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | MC-YM |
| FORMULA | C51H69N7O13S |
| MOLECULAR WEIGHT (Da) | 1020.2160 |
| ACCURATE MASS (Da) | 1019.4674 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa UTEX 2670 |
| InChIKey | CZNWJIGJNMVYOS-PQCSFXGESA-N |
| InChI | InChI=1S/C51H69N7O13S/c1-28(25-29(2)41(71-8)27-34-13-11-10-12-14-34)15-20-37-30(3)44(61)55-39(50(67)68)21-22-42(60)58(7)33(6)47(64)52-32(5)46(63)56-40(26-35-16-18-36(59)19-17-35)49(66)57-43(51(69)70)31(4)45(62)54-38(23-24-72-9)48(65)53-37/h10-20,25,29-32,37-41,43,59H,6,21-24,26-27H2,1-5,7-9H3,(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,56,63)(H,57,66)(H,67,68)(H,69,70)/b20-15+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | del Campo FF; Ouahid Y Identification of microcystins from three collection strains of Microcystis aeruginosa. Environmental Pollution 2010 158 (9) 2906-2914. | ||
|---|---|---|---|
| DOI | 10.1016/j.envpol.2010.06.018 | PMID | 20619941 |
