Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027532
PROPERTIES
| NPAID | NPA027532 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Dha7]MC-E(OMe)E(OMe) |
| FORMULA | C48H67N7O16 |
| MOLECULAR WEIGHT (Da) | 998.0970 |
| ACCURATE MASS (Da) | 997.4644 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp.186 |
| InChIKey | RODJROXYYNRFDY-GHJXESGZSA-N |
| InChI | InChI=1S/C48H67N7O16/c1-25(23-26(2)36(69-7)24-31-13-11-10-12-14-31)15-16-32-27(3)41(59)54-35(47(65)66)17-20-37(56)49-29(5)43(61)50-30(6)44(62)53-34(19-22-39(58)71-9)46(64)55-40(48(67)68)28(4)42(60)52-33(45(63)51-32)18-21-38(57)70-8/h10-16,23,26-28,30,32-36,40H,5,17-22,24H2,1-4,6-9H3,(H,49,56)(H,50,61)(H,51,63)(H,52,60)(H,53,62)(H,54,59)(H,55,64)(H,65,66)(H,67,68)/b16-15+,25-23+/t26-,27-,28-,30+,32-,33-,34-,35+,36-,40+/m0/s1 |
| SMILES | C=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Namikoshi, M; Yuan, M; Sivonen, K; Carmichael, W. W; Rinehart, K. L; Rouhiainen, L; Sun, F; Brittain, S; Otsuki A. Seven New Microcystins Possessing Two l-Glutamic Acid Units, Isolated from Anabaena sp. Strain 186 Chemical Research in Toxicology 1998 11 (2) 143-149. | ||
|---|---|---|---|
| DOI | 10.1021/tx970120t | PMID | - |
