Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012522
PROPERTIES
| NPAID | NPA012522 |
|---|---|
| CLUSTER ID | 4696 |
| NODE ID | 3417 |
| NAME | Tagetenolone |
| FORMULA | C16H22O5 |
| MOLECULAR WEIGHT (Da) | 294.3470 |
| ACCURATE MASS (Da) | 294.1467 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | tagetica |
| InChIKey | VMNFFGLULPDOOU-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H22O5/c1-9(14(19)6-10(2)18)5-13-12(8-17)7-15(20)11(3)16(13)21-4/h6-7,9,17,19-20H,5,8H2,1-4H3 |
| SMILES | CC1=C(C=C(C(=C1OC)CC(C)C(=CC(=O)C)O)CO)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 |
