Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008743
PROPERTIES
| NPAID | NPA008743 |
|---|---|
| CLUSTER ID | 908 |
| NODE ID | 787 |
| NAME | Nodulisporic acid A |
| FORMULA | C43H53NO6 |
| MOLECULAR WEIGHT (Da) | 679.8980 |
| ACCURATE MASS (Da) | 679.3873 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Nodulisporium |
| ORIGIN SPECIES | sp. |
| InChIKey | UNCVXXVJJXJZII-QLETUHIQSA-N |
| InChI | InChI=1S/C43H53NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h11-12,16,19-20,23,28-29,32-33,35,45-46H,1,13-15,17-18H2,2-10H3,(H,48,49)/b16-11+,22-12+/t23-,28-,29-,32+,33-,35+,41-,42-,43+/m0/s1 |
| SMILES | CC(=C)[C@H]1C(=O)C2=C3N1C4=C(C3=CC5=C2[C@H]([C@H]6C5=CC(OC6(C)C)(C)C)O)C[C@H]7[C@]4([C@]8(CC[C@@H]([C@@]([C@@H]8CC7)(C)/C=C/C=C(\C)/C(=O)O)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ondeyka, John G.; Helms, Gregory L.; Hensens, Otto D.; Goetz, Michael A.; Zink, Deborah L.; Tsipouras, Athanasios; Shoop, Wesley L.; Slayton, Lyndia; Dombrowski, Anne W.; Polishook, Jon D.; Ostlind, Dan A.; Tsou, Nancy N.; Ball, Richard G.; Singh, Sheo B. Nodulisporic acid A, a novel and potent insecticide from a nodulisporium Sp. isolation, structure determination, and chemical transformations Journal of the American Chemical Society 1997 119 (38) 8809-8816. | ||
|---|---|---|---|
| DOI | 10.1021/ja971664k | PMID | - |
