Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028708
PROPERTIES
| NPAID | NPA028708 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [DMAdda5]MC‐FR |
| FORMULA | C51H70N10O12 |
| MOLECULAR WEIGHT (Da) | 1015.1790 |
| ACCURATE MASS (Da) | 1014.5175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK18 |
| InChIKey | QOQCTPNZCVODIX-DXENUKDNSA-N |
| InChI | InChI=1S/C51H70N10O12/c1-28(25-29(2)40(62)27-35-17-12-9-13-18-35)20-21-36-30(3)43(64)58-38(49(70)71)22-23-41(63)61(7)33(6)46(67)55-32(5)45(66)59-39(26-34-15-10-8-11-16-34)48(69)60-42(50(72)73)31(4)44(65)57-37(47(68)56-36)19-14-24-54-51(52)53/h8-13,15-18,20-21,25,29-32,36-40,42,62H,6,14,19,22-24,26-27H2,1-5,7H3,(H,55,67)(H,56,68)(H,57,65)(H,58,64)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b21-20+,28-25+/t29-,30-,31-,32+,36-,37-,38+,39-,40-,42+/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](O)CC2=CC=CC=C2)[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 |
