Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028733
PROPERTIES
| NPAID | NPA028733 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [NMe-Ser7]MC‐RY |
| FORMULA | C52H74N10O14 |
| MOLECULAR WEIGHT (Da) | 1063.2200 |
| ACCURATE MASS (Da) | 1062.5386 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | FITCZJBNFWEOSI-SNPRYZSRSA-N |
| InChI | InChI=1S/C52H74N10O14/c1-28(24-29(2)41(76-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(66)59-38(50(72)73)21-22-42(65)62(6)40(27-63)49(71)56-32(5)46(68)58-37(14-11-23-55-52(53)54)47(69)61-43(51(74)75)31(4)45(67)60-39(48(70)57-36)25-34-16-18-35(64)19-17-34/h8-10,12-13,15-20,24,29-32,36-41,43,63-64H,11,14,21-23,25-27H2,1-7H3,(H,56,71)(H,57,70)(H,58,68)(H,59,66)(H,60,67)(H,61,69)(H,72,73)(H,74,75)(H4,53,54,55)/b20-15+,28-24+/t29-,30-,31-,32+,36-,37-,38+,39-,40-,41-,43+/m0/s1 |
| SMILES | CO[C@@H](CC1=CC=CC=C1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@H](CO)N(C)C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Miles CO; Sandvik M; Nonga HE; Rundberget T; Wilkins AL; Rise F; Ballot A Identification of microcystins in a Lake Victoria cyanobacterial bloom using LC-MS with thiol derivatization. Toxicon 2013 70 21-31. | ||
|---|---|---|---|
| DOI | 10.1016/j.toxicon.2013.03.016 | PMID | 23567039 |
