Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000424859 | Gold | 3 |
| CCMSLIB00000424860 | Gold | 3 |
| CCMSLIB00000424861 | Gold | 3 |
COMPOUND NPA027323
PROPERTIES
| NPAID | NPA027323 |
|---|---|
| CLUSTER ID | 7432 |
| NODE ID | 5083 |
| NAME | Scytophycin B |
| FORMULA | C45H73NO12 |
| MOLECULAR WEIGHT (Da) | 820.0740 |
| ACCURATE MASS (Da) | 819.5133 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | pseudohofmannii BC-1-2 |
| InChIKey | LGYQYCWMQRMLJJ-DAAXTDNESA-N |
| InChI | InChI=1S/C45H73NO12/c1-28-15-18-34(48)23-35-13-12-14-36(57-35)24-39(53-9)45(26-56-45)40(54-10)25-38(52-8)32(5)44(58-41(50)20-16-28)33(6)42(51)29(2)17-19-37(49)31(4)43(55-11)30(3)21-22-46(7)27-47/h12-13,15-16,20-22,27,29-36,38-40,42-44,48,51H,14,17-19,23-26H2,1-11H3/b20-16+,22-21+,28-15+/t29-,30+,31-,32-,33-,34-,35-,36-,38+,39-,40-,42-,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@]13CO3)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 | - |
