Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028713
PROPERTIES
| NPAID | NPA028713 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [ADMAdda5]MC‐(H4)YHar |
| FORMULA | C54H78N10O14 |
| MOLECULAR WEIGHT (Da) | 1091.2740 |
| ACCURATE MASS (Da) | 1090.5699 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK18 |
| InChIKey | OCQCDEXNHUNYCY-BPLSHEKDSA-N |
| InChI | InChI=1S/C54H78N10O14/c1-29(26-30(2)43(78-35(7)65)28-36-14-10-9-11-15-36)17-22-39-31(3)46(68)61-41(52(74)75)23-24-44(67)64(8)34(6)49(71)58-33(5)48(70)62-42(27-37-18-20-38(66)21-19-37)51(73)63-45(53(76)77)32(4)47(69)60-40(50(72)59-39)16-12-13-25-57-54(55)56/h9-11,14-15,17-18,20,22,26,30-33,37-43,45,66H,6,12-13,16,19,21,23-25,27-28H2,1-5,7-8H3,(H,58,71)(H,59,72)(H,60,69)(H,61,68)(H,62,70)(H,63,73)(H,74,75)(H,76,77)(H4,55,56,57)/b22-17+,29-26+/t30-,31-,32-,33+,37-,38-,39-,40-,41+,42-,43-,45+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C[C@H]2C=C[C@H](O)CC2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCCN=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 |
