Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019353
PROPERTIES
| NPAID | NPA019353 |
|---|---|
| CLUSTER ID | 6244 |
| NODE ID | 4341 |
| NAME | Norbotrydialone acetate |
| FORMULA | C16H22O4 |
| MOLECULAR WEIGHT (Da) | 278.3480 |
| ACCURATE MASS (Da) | 278.1518 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botrytis |
| ORIGIN SPECIES | cinerea |
| InChIKey | OMZUEHMZFLBHNI-PCKWUFTNSA-N |
| InChI | InChI=1S/C16H22O4/c1-8-6-10(19-9(2)17)12-13-11(8)14(18)20-16(13,5)7-15(12,3)4/h8,10,12H,6-7H2,1-5H3/t8-,10+,12-,16-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2C3=C1C(=O)O[C@@]3(CC2(C)C)C)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Colmenares, Ana J.; Duran-Patron, Rosa M.; Hernandez-Galan, Rosario; Collado, Isidro G. Four new lactones from Botrytis cinerea Journal of Natural Products 2002 65 (11) 1724-1726. | ||
|---|---|---|---|
| DOI | 10.1021/np020107v | PMID | 12444715 |
