Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005957
PROPERTIES
| NPAID | NPA005957 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Epicoccin N |
| FORMULA | C19H22N2O7S3 |
| MOLECULAR WEIGHT (Da) | 486.5930 |
| ACCURATE MASS (Da) | 486.0589 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Epicoccum |
| ORIGIN SPECIES | nigrum |
| InChIKey | PWTRPOVBBGDOBW-KKRNIYGSSA-N |
| InChI | InChI=1S/C19H22N2O7S3/c1-29-18-4-6-8(22)2-10(24)14(25)12(6)20(18)17(28)19-5-7-9(23)3-11(30-31-19)15(26)13(7)21(19)16(18)27/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11+,12-,13-,14-,15-,18+,19+/m0/s1 |
| SMILES | CS[C@@]12C[C@@H]3[C@H](N1C(=O)[C@]45C[C@@H]6[C@H](N4C2=O)[C@H]([C@@H](CC6=O)SS5)O)[C@H]([C@H](CC3=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines Produced by the Endophytic Fungus Epicoccum nigrum Journal of Natural Products 2010 73 (7) 1240-1249. | ||
|---|---|---|---|
| DOI | 10.1021/np1000895 | PMID | 20550196 |
