Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478506 | Silver | _130088 |
COMPOUND NPA002325
PROPERTIES
| NPAID | NPA002325 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Blennolide J |
| FORMULA | C32H30O14 |
| MOLECULAR WEIGHT (Da) | 638.5780 |
| ACCURATE MASS (Da) | 638.1636 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Setophoma |
| ORIGIN SPECIES | terrestris (MSX45109) |
| InChIKey | IRTSNPJRIJTNNN-PEBQPOLJSA-N |
| InChI | InChI=1S/C32H30O14/c1-12-9-16(33)23-26(38)22-19(46-32(23,27(12)39)30(41)43-4)8-6-15(25(22)37)14-5-7-18-21(24(14)36)17(34)11-31(45-18,29(40)42-3)28-13(2)10-20(35)44-28/h5-8,12-13,27-28,36-39H,9-11H2,1-4H3/t12-,13+,27+,28+,31+,32+/m1/s1 |
| SMILES | C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@@](CC5=O)([C@@H]6[C@H](CC(=O)O6)C)C(=O)OC)O)O[C@@]2([C@H]1O)C(=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | El-Elimat, Tamam; Figueroa, Mario; Raja, Huzefa A.; Graf, Tyler N.; Swanson, Steven M.; Falkinham, Joseph O.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Biosynthetically distinct cytotoxic polyketides from setophoma terrestris Journal of Organic Chemistry 2015 2015 (1) 109-121. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.201402984 | PMID | 25574154 |
