Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027768
PROPERTIES
| NPAID | NPA027768 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Unguinolic acid |
| FORMULA | C19H20O6 |
| MOLECULAR WEIGHT (Da) | 344.3630 |
| ACCURATE MASS (Da) | 344.1260 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | unguis |
| InChIKey | KVBFDOJSIOUODO-WEVVVXLNSA-N |
| InChI | InChI=1S/C19H20O6/c1-5-9(2)13-8-14(21)11(4)17(22)18(13)25-15-7-12(20)6-10(3)16(15)19(23)24/h5-8,20-22H,1-4H3,(H,23,24)/b9-5+ |
| SMILES | C/C=C(\C)C1=CC(O)=C(C)C(O)=C1OC1=C(C(=O)O)C(C)=CC(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 |
