Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027778
PROPERTIES
| NPAID | NPA027778 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | 3-bromounguidepside A |
| FORMULA | C20H19BrO7 |
| MOLECULAR WEIGHT (Da) | 451.2690 |
| ACCURATE MASS (Da) | 450.0314 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | unguis |
| InChIKey | MJFCVCNVEUJZBV-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H19BrO7/c1-5-8(2)11-7-13(10(4)17(23)15(11)19(25)26)28-20(27)14-9(3)6-12(22)16(21)18(14)24/h5-7,22-24H,1-4H3,(H,25,26) |
| SMILES | CC=C(C)C1=CC(OC(=O)C2=C(O)C(Br)=C(O)C=C2C)=C(C)C(O)=C1C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Morshed, Mahmud T.; Vuong, Daniel; Crombie, Andrew; Lacey, Alastair E.; Karuso, Peter; Lacey, Ernest; Piggott, Andrew M. Expanding antibiotic chemical space around the nidulin pharmacophore Organic & Biomolecular Chemistry 2018 16 (16) 3038-3051. | ||
|---|---|---|---|
| DOI | 10.1039/c8ob00545a | PMID | 29634062 |
