Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024658
PROPERTIES
| NPAID | NPA024658 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin J |
| FORMULA | C80H105N19O22 |
| MOLECULAR WEIGHT (Da) | 1684.8310 |
| ACCURATE MASS (Da) | 1683.7682 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa strain UWOCC CBS |
| InChIKey | UJWZCJCSZSBGRS-DCVOKETJSA-N |
| InChI | InChI=1S/C80H105N19O22/c1-5-40(2)65(86-42(4)101)76(115)96-59(38-100)73(112)98-66-41(3)121-64(105)36-56-72(111)92-55(34-45-37-85-50-17-9-7-15-48(45)50)71(110)90-54-26-28-63(104)120-39-60(74(113)93-56)97-75(114)61-20-13-31-99(61)78(117)57(32-43-21-23-47(102)24-22-43)94-68(107)51(88-67(106)52(91-77(66)116)19-12-30-84-80(81)82)18-10-11-29-83-62(103)27-25-53(89-69(54)108)70(109)95-58(79(118)119)35-46-33-44-14-6-8-16-49(44)87-46/h6-9,14-17,21-24,33,37,40-41,51-61,65-66,85,87,100,102H,5,10-13,18-20,25-32,34-36,38-39H2,1-4H3,(H,83,103)(H,86,101)(H,88,106)(H,89,108)(H,90,110)(H,91,116)(H,92,111)(H,93,113)(H,94,107)(H,95,109)(H,96,115)(H,97,114)(H,98,112)(H,118,119)(H4,81,82,84)/t40?,41-,51+,52?,53+,54-,55+,56?,57+,58+,59+,60+,61+,65?,66-/m1/s1 |
| SMILES | CCC(C)C(C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H](OC(=O)CC2C(=O)N[C@H](C(=O)N[C@@H]3CCC(=O)OC[C@@H](C(=O)N2)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC3=O)C(=O)N[C@@H](CC5=CC6=CC=CC=C6N5)C(=O)O)NC(=O)C(NC1=O)CCCNC(=N)N)CC7=CC=C(C=C7)O)CC8=CNC9=CC=CC=C98)C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rohrlack, T; Christoffersen, K; Hansen, PE; Zhang, W; Czarnecki, O; Henning, M; Fastner, J; Erhard, M; Neilan, BA; Kaebernick, M Isolation, Characterization, and Quantitative Analysis of Microviridin J, a New Microcystis Metabolite Toxic to Daphnia Journal of Chemical Ecology 2003 29 (8) 1757-1770. | ||
|---|---|---|---|
| DOI | 10.1023/A:1024889925732 | PMID | 12956505 |
