Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027566
PROPERTIES
| NPAID | NPA027566 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Dha7]MC-RR |
| FORMULA | C48H73N13O12 |
| MOLECULAR WEIGHT (Da) | 1024.1910 |
| ACCURATE MASS (Da) | 1023.5502 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa 205 |
| InChIKey | ANEDRERLGQEWQI-UAWDZTONSA-N |
| InChI | InChI=1S/C48H73N13O12/c1-25(23-26(2)36(73-7)24-31-13-9-8-10-14-31)17-18-32-27(3)39(63)60-35(45(69)70)19-20-37(62)55-29(5)41(65)56-30(6)42(66)59-34(16-12-22-54-48(51)52)44(68)61-38(46(71)72)28(4)40(64)58-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,26-28,30,32-36,38H,5,11-12,15-16,19-22,24H2,1-4,6-7H3,(H,55,62)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,60,63)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,25-23+/t26-,27-,28-,30+,32-,33-,34-,35+,36-,38+/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](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kiviranta J; Namikoshi M; Sivonen K; Evans WR; Carmichael WW; Rinehart KL Structure determination and toxicity of a new microcystin from Microcystis aeruginosa strain 205. Toxicon 1992 30 (9) 1093-1098. | ||
|---|---|---|---|
| DOI | 10.1016/0041-0101(92)90054-9 | PMID | 1440646 |
