Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027549
PROPERTIES
| NPAID | NPA027549 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [DMAdda5]MC-RR |
| FORMULA | C48H73N13O12 |
| MOLECULAR WEIGHT (Da) | 1024.1910 |
| ACCURATE MASS (Da) | 1023.5502 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | QNXSMJGNFUUQFQ-BLNINCLDSA-N |
| InChI | InChI=1S/C48H73N13O12/c1-25(23-26(2)36(62)24-31-13-9-8-10-14-31)17-18-32-27(3)39(64)59-35(45(70)71)19-20-37(63)61(7)30(6)42(67)55-29(5)41(66)58-34(16-12-22-54-48(51)52)44(69)60-38(46(72)73)28(4)40(65)57-33(43(68)56-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,26-29,32-36,38,62H,6,11-12,15-16,19-22,24H2,1-5,7H3,(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H,60,69)(H,70,71)(H,72,73)(H4,49,50,53)(H4,51,52,54)/b18-17+,25-23+/t26-,27-,28-,29+,32-,33-,34-,35+,36-,38+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)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](O)CC2=CC=CC=C2)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yilmaz M; Foss AJ; Miles CO; Özen M; Demir N; Balcı M; Beach DG Comprehensive multi-technique approach reveals the high diversity of microcystins in field collections and an associated isolate of Microcystis aeruginosa from a Turkish lake. Toxicon 2019 167 87-100. | ||
|---|---|---|---|
| DOI | 10.1016/j.toxicon.2019.06.006 | PMID | 31181296 |
