Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003052
PROPERTIES
| NPAID | NPA003052 |
|---|---|
| CLUSTER ID | 60 |
| NODE ID | 56 |
| NAME | Aspoquinolone C/D |
| FORMULA | C27H33NO7 |
| MOLECULAR WEIGHT (Da) | 483.5610 |
| ACCURATE MASS (Da) | 483.2257 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | nidulans |
| InChIKey | UTNVYRJWGOKFBF-RPJCIHFCSA-N |
| InChI | InChI=1S/C27H33NO7/c1-25(2)20(29)13-15-26(3,35-25)14-12-16-6-11-19-21(22(16)30)27(32,23(34-5)24(31)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29-30,32H,13,15H2,1-5H3,(H,28,31)/b14-12+/t20?,23-,26?,27+/m0/s1 |
| SMILES | CC1(C(CCC(O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@@H]([C@]3(C4=CC=C(C=C4)OC)O)OC)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Scherlach, Kirstin; Hertweck, Christian Discovery of aspoquinolones A-D, prenylated quinoline-2-one alkaloids from Aspergillus nidulans, motivated by genome mining Organic & Biomolecular Chemistry 2006 4 (18) 3517-3520. | ||
|---|---|---|---|
| DOI | 10.1039/b607011f | PMID | 17036148 |
