Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028710
PROPERTIES
| NPAID | NPA028710 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [ADMAdda5]MC‐FR |
| FORMULA | C53H72N10O13 |
| MOLECULAR WEIGHT (Da) | 1057.2160 |
| ACCURATE MASS (Da) | 1056.5280 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK18 |
| InChIKey | OXDQKFXDBASUQU-BTFGLNETSA-N |
| InChI | InChI=1S/C53H72N10O13/c1-29(26-30(2)42(76-35(7)64)28-37-18-13-10-14-19-37)21-22-38-31(3)45(66)60-40(51(72)73)23-24-43(65)63(8)34(6)48(69)57-33(5)47(68)61-41(27-36-16-11-9-12-17-36)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)20-15-25-56-53(54)55/h9-14,16-19,21-22,26,30-33,38-42,44H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-21+,29-26+/t30-,31-,32-,33+,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)=O)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kaasalainen U; Jokela J; Fewer DP; Sivonen K; Rikkinen J Microcystin production in the tripartite cyanolichen Peltigera leucophlebia. Molecular Plant-Microbe Interactions 2009 22 (6) 695-702. | ||
|---|---|---|---|
| DOI | 10.1094/MPMI-22-6-0695 | PMID | 19445594 |
