Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000246
PROPERTIES
| NPAID | NPA000246 |
|---|---|
| CLUSTER ID | 209 |
| NODE ID | 196 |
| NAME | Phomodione |
| FORMULA | C20H22O8 |
| MOLECULAR WEIGHT (Da) | 390.3880 |
| ACCURATE MASS (Da) | 390.1315 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. |
| InChIKey | SBCSGCNJMDGECZ-IWSJWDQHSA-N |
| InChI | InChI=1S/C20H22O8/c1-8-15(24)13(10(3)22)17-14(16(8)26-5)19(4)18(25)12(9(2)21)11(23)7-20(19,27-6)28-17/h12,24H,7H2,1-6H3/t12?,19-,20+/m0/s1 |
| SMILES | CC1=C(C(=C2C(=C1OC)[C@]3(C(=O)C(C(=O)C[C@]3(O2)OC)C(=O)C)C)C(=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hoffman, Angela M.; Mayer, Steven G.; Strobel, Gary A.; Hess, Wilford M.; Sovocool, G. Wayne; Grange, Andrew H.; Harper, James K.; Arif, Atta M.; Grant, David M.; Kelley-Swift, Elizabeth G. Purification, identification and activity of phomodione, a furandione from an endophytic Phoma species Phytochemistry 2008 69 (4) 1049-1056. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2007.10.031 | PMID | 18070629 |
