Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025552
PROPERTIES
| NPAID | NPA025552 |
|---|---|
| CLUSTER ID | 2272 |
| NODE ID | 1805 |
| NAME | Rubratoxin acid E |
| FORMULA | C27H40O7 |
| MOLECULAR WEIGHT (Da) | 476.6100 |
| ACCURATE MASS (Da) | 476.2774 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Talaromyces |
| ORIGIN SPECIES | purpurogenus |
| InChIKey | GOPLCHHJWCAECO-LUYIRDKVSA-N |
| InChI | InChI=1S/C27H40O7/c1-3-5-7-9-10-12-14-19-17-21-20(26(32)34-27(21)33)15-18(13-11-8-6-4-2)16-22(24(28)29)23(19)25(30)31/h18-19H,3-17H2,1-2H3,(H,28,29)(H,30,31)/b23-22-/t18-,19-/m1/s1 |
| SMILES | CCCCCCCC[C@@H]/1CC2=C(C[C@H](C/C(=C1/C(=O)O)/C(=O)O)CCCCCC)C(=O)OC2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhao JY; Wang XJ; Liu Z; Meng FX; Sun SF; Ye F; Liu YB Nonadride and Spirocyclic Anhydride Derivatives from the Plant Endophytic Fungus Talaromyces purpurogenus. Journal of Natural Products 2019 82 (11) 2953-2962. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00210 | PMID | 31710490 |
