Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019469
PROPERTIES
| NPAID | NPA019469 |
|---|---|
| CLUSTER ID | 2474 |
| NODE ID | 415 |
| NAME | Deschloro 12-epi-fischerindole I nitrile |
| FORMULA | C21H22N2 |
| MOLECULAR WEIGHT (Da) | 302.4210 |
| ACCURATE MASS (Da) | 302.1783 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Fischerella |
| ORIGIN SPECIES | sp. |
| InChIKey | KTONQTZUWGFNIE-LHSJRXKWSA-N |
| InChI | InChI=1S/C21H22N2/c1-5-21(4)11-10-14-18(15(21)12-22)17-13-8-6-7-9-16(13)23-19(17)20(14,2)3/h5-9,14,23H,1,10-11H2,2-4H3/t14-,21+/m0/s1 |
| SMILES | C[C@]1(CC[C@H]2C(=C1C#N)C3=C(C2(C)C)NC4=CC=CC=C43)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kim, Hyunjung; Krunic, Aleksej; Lantvit, Daniel; Shen, Qi; Kroll, David J.; Swanson, Steven M.; Orjala, Jimmy Nitrile-containing fischerindoles from the cultured cyanobacterium Fischerella sp Tetrahedron 2012 68 (15) 3205-3209. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2012.02.048 | PMID | 22470225 |
