Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012605
PROPERTIES
| NPAID | NPA012605 |
|---|---|
| CLUSTER ID | 106 |
| NODE ID | 101 |
| NAME | Deflectin 1a |
| FORMULA | C21H24O5 |
| MOLECULAR WEIGHT (Da) | 356.4180 |
| ACCURATE MASS (Da) | 356.1624 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | deflectus |
| InChIKey | YNVKQPJBOAUYIJ-OAQYLSRUSA-N |
| InChI | InChI=1S/C21H24O5/c1-4-5-6-7-8-9-16(22)18-19-15-12-25-13(2)10-14(15)11-17(23)21(19,3)26-20(18)24/h10-12H,4-9H2,1-3H3/t21-/m1/s1 |
| SMILES | CCCCCCCC(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@@]2(C)OC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Anke, Heidrun; Kemmer, T; Höfle, G Deflectins, new antimicrobial azaphilones from Aspergillus deflectus Journal of Antibiotics 1981 34 (8) 923-928. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.34.923 | PMID | 7319924 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCCC(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O | Anke, Heidrun; Kemmer, T; Höfle, G Deflectins, new antimicrobial azaphilones from Aspergillus deflectus Journal of Antibiotics 1981 34 (8) 923-928. DOI: 10.7164/antibiotics.34.923 PMID: 7319924 | ||
| 2 | CCCCCCCC(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@@]2(C)OC1=O | Pyser JB, Baker Dockrey SA, Benítez AR, Joyce LA, Wiscons RA, Smith JL, Narayan ARH Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products Journal of the American Chemical Society 2019 141 (46) 18551-18559. DOI: 10.1021/jacs.9b09385 PMID: 31692339 | ||
