Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027312
PROPERTIES
| NPAID | NPA027312 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin |
| FORMULA | C85H100N16O24 |
| MOLECULAR WEIGHT (Da) | 1729.8230 |
| ACCURATE MASS (Da) | 1728.7096 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | viridis |
| InChIKey | GZWAMQUNOCFCLH-IPFDCVSDSA-N |
| InChI | InChI=1S/C85H100N16O24/c1-45-73(100-70(108)43-88-69(107)42-89-74(111)60(90-46(2)102)36-48-17-23-52(103)24-18-48)83(120)96-61(35-47-11-4-3-5-12-47)78(115)91-57-15-8-9-33-86-68(106)31-29-58(77(114)98-65(85(122)123)38-50-21-27-54(105)28-22-50)92-76(113)59-30-32-71(109)124-44-66(99-82(119)67-16-10-34-101(67)84(121)64(97-75(57)112)37-49-19-25-53(104)26-20-49)81(118)95-63(40-72(110)125-45)80(117)94-62(79(116)93-59)39-51-41-87-56-14-7-6-13-55(51)56/h3-7,11-14,17-28,41,45,57-67,73,87,103-105H,8-10,15-16,29-40,42-44H2,1-2H3,(H,86,106)(H,88,107)(H,89,111)(H,90,102)(H,91,115)(H,92,113)(H,93,116)(H,94,117)(H,95,118)(H,96,120)(H,97,112)(H,98,114)(H,99,119)(H,100,108)(H,122,123)/t45-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66+,67+,73+/m1/s1 |
| SMILES | CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N[C@@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)O)NC(=O)[C@@H]3CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC4=CC=C(O)C=C4)NC2=O)C(=O)N[C@@H](CC(=O)O[C@@H]1C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishitsuka M; Kusumi T; Kakisawa H; Kaya K; Watanabe M Microviridin. A novel tricyclic depsipeptide from the toxic cyanobacterium Microcystis viridis Journal of the American Chemical Society 1990 112 (22) 8180-8182. | ||
|---|---|---|---|
| DOI | 10.1021/ja00178a060 | PMID | - |
