Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001570 | Gold | 1!CCMSLIB00000001572 |
COMPOUND NPA001541
PROPERTIES
| NPAID | NPA001541 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Halovir A |
| FORMULA | C45H83N7O9 |
| MOLECULAR WEIGHT (Da) | 866.1990 |
| ACCURATE MASS (Da) | 865.6252 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scytalidium |
| ORIGIN SPECIES | sp. |
| InChIKey | GRJSOZDXIUZXEW-PFTKNCRBSA-N |
| InChI | InChI=1S/C45H83N7O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(56)51-45(8,9)44(61)52-27-33(54)26-36(52)42(59)49-35(25-30(4)5)41(58)50-39(31(6)7)43(60)48-34(22-23-37(46)55)40(57)47-32(28-53)24-29(2)3/h29-36,39,53-54H,10-28H2,1-9H3,(H2,46,55)(H,47,57)(H,48,60)(H,49,59)(H,50,58)(H,51,56)/t32-,33+,34-,35?,36-,39-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)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 |
