Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016292
PROPERTIES
| NPAID | NPA016292 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Rostratin C |
| FORMULA | C20H24N2O8S2 |
| MOLECULAR WEIGHT (Da) | 484.5520 |
| ACCURATE MASS (Da) | 484.0974 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Exserohilum |
| ORIGIN SPECIES | rostratum |
| InChIKey | WZZFRBNMRXVFNQ-UDLXUQTMSA-N |
| InChI | InChI=1S/C20H24N2O8S2/c1-29-11-3-9(23)7-5-19-18(28)22-14-8(10(24)4-12(30-2)16(14)26)6-20(22,32-31-19)17(27)21(19)13(7)15(11)25/h7-8,11-16,25-26H,3-6H2,1-2H3/t7-,8-,11+,12+,13-,14-,15+,16+,19-,20-/m1/s1 |
| SMILES | CO[C@H]1CC(=O)[C@H]2C[C@@]34C(=O)N5[C@@H]6[C@H](C[C@]5(C(=O)N3[C@H]2[C@H]1O)SS4)C(=O)C[C@@H]([C@@H]6O)OC |
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 |
