Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004709277 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709278 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709279 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709280 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709281 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709282 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709283 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709284 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709285 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709286 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709287 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709288 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709289 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709290 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00004709291 | Bronze | (5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one |
| CCMSLIB00000852609 | Gold | 1!CCMSLIB00000852611 |
COMPOUND NPA011070
PROPERTIES
| NPAID | NPA011070 |
|---|---|
| CLUSTER ID | 16 |
| NODE ID | 16 |
| NAME | Stagonolide I |
| FORMULA | C10H14O4 |
| MOLECULAR WEIGHT (Da) | 198.2180 |
| ACCURATE MASS (Da) | 198.0892 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stagonospora |
| ORIGIN SPECIES | cirsii Davis |
| InChIKey | MKPZLFSGCUYQEY-UNPLIRBPSA-N |
| InChI | InChI=1S/C10H14O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7-9,11-12H,6H2,1H3/b3-2-,5-4-/t7-,8-,9-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H](/C=C\[C@H](/C=C\C(=O)O1)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Evidente, Antonio; Cimmino, Alessio; Berestetskiy, Alexander; Andolfi, Anna; Motta, Andrea Stagonolides G-I and modiolide A, nonenolides produced by Stagonospora cirsii, a potential mycoherbicide for Cirsium arvense Journal of Natural Products 2008 71 (11) 1897-1901. | ||
|---|---|---|---|
| DOI | 10.1021/np800415w | PMID | 18959441 |
