Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008426
PROPERTIES
| NPAID | NPA008426 |
|---|---|
| CLUSTER ID | 61 |
| NODE ID | 57 |
| NAME | Coniothyrione |
| FORMULA | C14H9ClO6 |
| MOLECULAR WEIGHT (Da) | 308.6730 |
| ACCURATE MASS (Da) | 308.0088 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Coniothyrium |
| ORIGIN SPECIES | cerealis MF7209 |
| InChIKey | DGNLMQQHRKHDTP-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H9ClO6/c1-20-13(18)14(19)5-6(15)12-10(14)11(17)9-7(16)3-2-4-8(9)21-12/h2-5,16,19H,1H3 |
| SMILES | COC(=O)C1(O)C=C(Cl)C2=C1C(=O)C1=C(O)C=CC=C1O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ondeyka, John G.; Zink, Deborah; Basilio, Angela; Vicente, Francisca; Bills, Gerald; Diez, Maria Teresa; Motyl, Mary; Dezeny, Gabe; Byrne, Kevin; Singh, Sheo B. Coniothyrione, a chlorocyclopentandienylbenzopyrone as a bacterial protein synthesis inhibitor discovered by antisense technology Journal of Natural Products 2007 70 (4) 668-670. | ||
|---|---|---|---|
| DOI | 10.1021/np060557d | PMID | 17346074 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | COC(=O)C1(C(=CC2=C1C(=O)C3=C(O2)C=CC=C3O)Cl)O | Ondeyka, John G.; Zink, Deborah; Basilio, Angela; Vicente, Francisca; Bills, Gerald; Diez, Maria Teresa; Motyl, Mary; Dezeny, Gabe; Byrne, Kevin; Singh, Sheo B. Coniothyrione, a chlorocyclopentandienylbenzopyrone as a bacterial protein synthesis inhibitor discovered by antisense technology Journal of Natural Products 2007 70 (4) 668-670. DOI: 10.1021/np060557d PMID: 17346074 | ||
| 2 | COC(=O)C1(O)C=C(Cl)C2=C1C(=O)C1=C(O)C=CC=C1O2 | Kong, Fangming; Zhu, Tianmin; Pan, Weitao; Tsao, Russ; Pagano, Thomas G; Nguyen, Bao; Marquez, Brian WYE-120318, a ring contraction product of methylnaltrexone, and structure revision of coniothyrione. Magnetic Resonance in Chemistry 2012 50 (12) 829-33. DOI: 10.1002/mrc.3892 PMID: 23135875 | ||
