Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478503 | Gold | 2 |
| CCMSLIB00000478504 | Gold | 2 |
COMPOUND NPA013102
PROPERTIES
| NPAID | NPA013102 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Blennolide H |
| FORMULA | C32H30O14 |
| MOLECULAR WEIGHT (Da) | 638.5780 |
| ACCURATE MASS (Da) | 638.1636 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Setophoma |
| ORIGIN SPECIES | terrestris (MSX45109) |
| InChIKey | OYMCWIDGOVGEEJ-LARRGFROSA-N |
| InChI | InChI=1S/C32H30O14/c1-13-9-21(35)43-27(13)31(29(39)41-3)11-17(33)23-19(45-31)7-5-15(25(23)37)16-6-8-20-24(26(16)38)18(34)12-32(46-20,30(40)42-4)28-14(2)10-22(36)44-28/h5-8,13-14,27-28,37-38H,9-12H2,1-4H3/t13-,14-,27-,28-,31+,32+/m1/s1 |
| SMILES | COC(=O)[C@@]1([C@@H]2OC(=O)C[C@H]2C)CC(=O)C2=C(C=CC(C3=C(O)C4=C(C=C3)O[C@](C(=O)OC)([C@@H]3OC(=O)C[C@H]3C)CC4=O)=C2O)O1 |
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 |
