Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028837
PROPERTIES
| NPAID | NPA028837 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | MC‐RY |
| FORMULA | C52H72N10O13 |
| MOLECULAR WEIGHT (Da) | 1045.2050 |
| ACCURATE MASS (Da) | 1044.5280 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | YCVNLMLOLNNEKI-GJRPNUFSSA-N |
| InChI | InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,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](CCCN=C(N)N)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)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 | Okello W; Portmann C; Erhard M; Gademann K; Kurmayer R Occurrence of microcystin-producing cyanobacteria in Ugandan freshwater habitats. Environmental Toxicology 2010 25 (4) 367-380. | ||
|---|---|---|---|
| DOI | 10.1002/tox.20522 | PMID | 19609871 |
