Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027554
PROPERTIES
| NPAID | NPA027554 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-MeO-Glu6]MC-FR |
| FORMULA | C53H74N10O12 |
| MOLECULAR WEIGHT (Da) | 1043.2330 |
| ACCURATE MASS (Da) | 1042.5488 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | TUXKJPGQNPVSCV-LBEBTBASSA-N |
| InChI | InChI=1S/C53H74N10O12/c1-30(27-31(2)42(74-8)29-37-19-14-11-15-20-37)22-23-38-32(3)45(65)60-40(52(73)75-9)24-25-43(64)63(7)35(6)48(68)57-34(5)47(67)61-41(28-36-17-12-10-13-18-36)50(70)62-44(51(71)72)33(4)46(66)59-39(49(69)58-38)21-16-26-56-53(54)55/h10-15,17-20,22-23,27,31-34,38-42,44H,6,16,21,24-26,28-29H2,1-5,7-9H3,(H,57,68)(H,58,69)(H,59,66)(H,60,65)(H,61,67)(H,62,70)(H,71,72)(H4,54,55,56)/b23-22+,30-27+/t31-,32-,33-,34+,38-,39-,40+,41-,42-,44+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)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)OC)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bouhaddada R; Nélieu S; Nasri H; Delarue G; Bouaïcha N High diversity of microcystins in a Microcystis bloom from an Algerian lake. Environmental Pollution 2016 216 836-844. | ||
|---|---|---|---|
| DOI | 10.1016/j.envpol.2016.06.055 | PMID | 27394081 |
