Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027770
PROPERTIES
| NPAID | NPA027770 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | 5-chlorounguinolic acid |
| FORMULA | C19H19ClO6 |
| MOLECULAR WEIGHT (Da) | 378.8080 |
| ACCURATE MASS (Da) | 378.0870 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | unguis |
| InChIKey | VLNUYJUOTGDBOM-VMPITWQZSA-N |
| InChI | InChI=1S/C19H19ClO6/c1-5-8(2)11-6-12(21)9(3)17(23)18(11)26-14-7-13(22)16(20)10(4)15(14)19(24)25/h5-7,21-23H,1-4H3,(H,24,25)/b8-5+ |
| SMILES | C/C=C(\C)C1=CC(O)=C(C)C(O)=C1OC1=C(C(=O)O)C(C)=C(Cl)C(O)=C1 |
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 |
