Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033165
PROPERTIES
| NPAID | NPA033165 |
|---|---|
| CLUSTER ID | 9555 |
| NODE ID | 6396 |
| NAME | Tetrachlorizine |
| FORMULA | C18H10Cl4N2O4 |
| MOLECULAR WEIGHT (Da) | 460.1000 |
| ACCURATE MASS (Da) | 457.9395 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. AJS-327 |
| InChIKey | OWMICGQRWGEBSE-DAFODLJHSA-N |
| InChI | InChI=1S/C18H10Cl4N2O4/c19-9-5-11(23-17(9)21)14(26)4-1-7-13(25)3-2-8(15(7)27)16(28)12-6-10(20)18(22)24-12/h1-6,23-25,27H/b4-1+ |
| SMILES | O=C(/C=C/C1=C(O)C=CC(C(=O)C2=CC(Cl)=C(Cl)[NH]2)=C1O)C1=CC(Cl)=C(Cl)[NH]1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Purdy, Trevor N; Kim, Min Cheol; Cullum, Reiko; Fenical, William; Moore, Bradley S Discovery and Biosynthesis of Tetrachlorizine Reveals Enzymatic Benzylic Dehydrogenation via an ortho-Quinone Methide. Journal of the American Chemical Society 2021 143 (10) 3682-3686. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.0c12415 | PMID | 33656337 |
