Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001568 | Gold | 1 |
COMPOUND NPA018758
PROPERTIES
| NPAID | NPA018758 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Halovir B |
| FORMULA | C43H79N7O9 |
| MOLECULAR WEIGHT (Da) | 838.1450 |
| ACCURATE MASS (Da) | 837.5939 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scytalidium |
| ORIGIN SPECIES | sp. |
| InChIKey | FFCLYSVFZQXUHI-XUVLUQBSSA-N |
| InChI | InChI=1S/C43H79N7O9/c1-9-10-11-12-13-14-15-16-17-18-19-20-37(54)49-43(7,8)42(59)50-26-32(52)25-35(50)41(58)48-34(24-29(4)5)40(57)45-30(6)38(55)47-33(21-22-36(44)53)39(56)46-31(27-51)23-28(2)3/h28-35,51-52H,9-27H2,1-8H3,(H2,44,53)(H,45,57)(H,46,56)(H,47,55)(H,48,58)(H,49,54)/t30-,31-,32+,33-,34-,35-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rowley, David C; Kelly, Sara; Kauffman, Christopher A; Jensen, Paul R; Fenical, William Halovirs A-E, new antiviral agents from a marine-derived fungus of the genus Scytalidium Bioorganic and Medicinal Chemistry 2003 11 (19) 4263-4274. | ||
|---|---|---|---|
| DOI | 10.1016/s0968-0896(03)00395-x | PMID | 12951157 |
