Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032343
PROPERTIES
| NPAID | NPA032343 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Penicillixanthone A |
| FORMULA | C32H30O14 |
| MOLECULAR WEIGHT (Da) | 638.5780 |
| ACCURATE MASS (Da) | 638.1636 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Setophoma |
| ORIGIN SPECIES | terrestris (MSX45109) |
| InChIKey | BJONMPUUAMZPSQ-ZKHWAINJSA-N |
| InChI | InChI=1S/C32H30O14/c1-11-9-17(35)22-25(38)20-18(45-31(22,27(11)39)29(41)43-3)8-6-13(23(20)36)14-5-7-15(33)19-24(37)21-16(34)10-12(2)28(40)32(21,30(42)44-4)46-26(14)19/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1 |
| SMILES | COC(=O)[C@]12OC3=CC=C(C4=C5O[C@@]6(C(=O)OC)C(=C(O)C[C@@H](C)[C@@H]6O)C(=O)C5=C(O)C=C4)C(O)=C3C(=O)C1=C(O)C[C@@H](C)[C@@H]2O |
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 |
