Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002629
PROPERTIES
| NPAID | NPA002629 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Epicoccin J |
| FORMULA | C20H24N2O6S2 |
| MOLECULAR WEIGHT (Da) | 452.5540 |
| ACCURATE MASS (Da) | 452.1076 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Epicoccum |
| ORIGIN SPECIES | nigrum |
| InChIKey | QOXQVMHGUNMPOZ-RIJSRGPQSA-N |
| InChI | InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1 |
| SMILES | CS[C@@]12C[C@@H]3[C@H](N1C(=O)[C@@]4(C[C@@H]5[C@H](N4C2=O)[C@H](C=CC5=O)O)SC)[C@H](CCC3=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 |
