Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000424872 | Gold | 3 |
| CCMSLIB00000424873 | Gold | 3 |
| CCMSLIB00000424874 | Gold | 3 |
COMPOUND NPA027326
PROPERTIES
| NPAID | NPA027326 |
|---|---|
| CLUSTER ID | 7432 |
| NODE ID | 5083 |
| NAME | Scytophycin E |
| FORMULA | C45H75NO12 |
| MOLECULAR WEIGHT (Da) | 822.0900 |
| ACCURATE MASS (Da) | 821.5289 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | pseudohofmannii BC-1-2 |
| InChIKey | DSHVEBDLSYMWSX-MRGDGBMUSA-N |
| InChI | InChI=1S/C45H75NO12/c1-28-15-18-34(49)23-35-13-12-14-36(57-35)24-40(54-9)37(26-47)41(55-10)25-39(53-8)32(5)45(58-42(51)20-16-28)33(6)43(52)29(2)17-19-38(50)31(4)44(56-11)30(3)21-22-46(7)27-48/h12-13,15-16,20-22,27,29-37,39-41,43-45,47,49,52H,14,17-19,23-26H2,1-11H3/b20-16+,22-21+,28-15+/t29-,30+,31-,32-,33-,34-,35-,36-,37+,39+,40-,41-,43-,44+,45-/m0/s1 |
| SMILES | CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishibashi M; Moore R; Patterson G; Xu C; Clardy J Scytophycins, cytotoxic and antimycotic agents from the cyanophyte Scytonema pseudohofmanni Journal of Organic Chemistry 1986 51 (26) 5300-5306. | ||
|---|---|---|---|
| DOI | 10.1021/jo00376a047 | PMID | - |
