Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012095
PROPERTIES
| NPAID | NPA012095 |
|---|---|
| CLUSTER ID | 4590 |
| NODE ID | 3351 |
| NAME | Ascochital |
| FORMULA | C15H18O6 |
| MOLECULAR WEIGHT (Da) | 294.3030 |
| ACCURATE MASS (Da) | 294.1103 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ascochyta |
| ORIGIN SPECIES | salicorniae |
| InChIKey | BUBGGXXWUJXFLO-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H18O6/c1-4-7(2)13(18)8(3)9-5-11(17)12(15(20)21)14(19)10(9)6-16/h5-8,17,19H,4H2,1-3H3,(H,20,21) |
| SMILES | CCC(C)C(=O)C(C)C1=CC(=C(C(=C1C=O)O)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kusnick, C; Jansen, R; Liberra, K; Lindequist, U Ascochital, a new metabolite from the marine ascomycete Kirschsteiniothelia maritima Die Pharmazie 2002 57 (7) 510-512. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541287 | PMID | 12168545 |
