Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010913
PROPERTIES
| NPAID | NPA010913 |
|---|---|
| CLUSTER ID | 3565 |
| NODE ID | 2687 |
| NAME | Tagetolone |
| FORMULA | C16H24O4 |
| MOLECULAR WEIGHT (Da) | 280.3640 |
| ACCURATE MASS (Da) | 280.1675 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | tagetica |
| InChIKey | OQJDVTONDORMQG-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H24O4/c1-9-7-15(19)12(4)16(20-5)13(9)6-10(2)14(18)8-11(3)17/h7,10-11,17,19H,6,8H2,1-5H3 |
| SMILES | CC1=CC(=C(C(=C1CC(C)C(=O)CC(C)O)OC)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gamboa-Angulo, M M; García-Sosa, K; Alejos-González, F; Escalante-Erosa, F; Delgado-Lamas, G; Peña-Rodríguez, L M Tagetolone and tagetenolone: two phytotoxic polyketides from Alternaria tagetica Journal of Agricultural and Food Chemistry 2001 49 (3) 1228-1232. | ||
|---|---|---|---|
| DOI | 10.1021/jf000872k | PMID | 11312841 |
