Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011018
PROPERTIES
| NPAID | NPA011018 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Rostratin B |
| FORMULA | C18H20N2O6S2 |
| MOLECULAR WEIGHT (Da) | 424.5000 |
| ACCURATE MASS (Da) | 424.0763 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Exserohilum |
| ORIGIN SPECIES | rostratum |
| InChIKey | ICKHXBRXCAORGF-ZJNFRVSGSA-N |
| InChI | InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1 |
| SMILES | C1CC(=O)[C@H]2C[C@@]34C(=O)N5[C@H]6[C@H](CCC(=O)[C@H]6C[C@]5(C(=O)N3[C@H]2[C@H]1O)SS4)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tan, Ren Xiang; Jensen, Paul R.; Williams, Philip G.; Fenical, William Isolation and structure assignments of rostratins A-D, cytotoxic disulfides produced by the marine-derived fungus Exserohilum rostratum Journal of Natural Products 2004 67 (8) 1374-1382. | ||
|---|---|---|---|
| DOI | 10.1021/np049920b | PMID | 15332857 |
