Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014499
PROPERTIES
| NPAID | NPA014499 |
|---|---|
| CLUSTER ID | 22 |
| NODE ID | 21 |
| NAME | (E)-6-Chloro-10,11-dehydrocurvularin |
| FORMULA | C16H17ClO5 |
| MOLECULAR WEIGHT (Da) | 324.7600 |
| ACCURATE MASS (Da) | 324.0765 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cochliobolus |
| ORIGIN SPECIES | spicifer |
| InChIKey | UQSXUWXEMMUFMK-RNEXMXFGSA-N |
| InChI | InChI=1S/C16H17ClO5/c1-9-5-3-2-4-6-11(18)14-10(8-13(20)22-9)7-12(19)15(17)16(14)21/h4,6-7,9,19,21H,2-3,5,8H2,1H3/b6-4-/t9-/m0/s1 |
| SMILES | C[C@H]1CCC/C=C\C(=O)C2=C(C(=C(C=C2CC(=O)O1)O)Cl)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ghisalberti, Emilio L.; Rowland, Catherine Y. 6-Chlorodehydrocurvularin, a New Metabolite from Cochliobolus spicifer Journal of Natural Products 1993 56 (12) 2175-2177. | ||
|---|---|---|---|
| DOI | 10.1021/np50102a022 | PMID | - |
