Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017169
PROPERTIES
| NPAID | NPA017169 |
|---|---|
| CLUSTER ID | 3058 |
| NODE ID | 2339 |
| NAME | 8-zinniol acetate |
| FORMULA | C17H24O5 |
| MOLECULAR WEIGHT (Da) | 308.3740 |
| ACCURATE MASS (Da) | 308.1624 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | tagetica |
| InChIKey | FURQRAYGKDSRCZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H24O5/c1-11(2)6-7-21-16-8-14(9-18)15(10-22-13(4)19)17(20-5)12(16)3/h6,8,18H,7,9-10H2,1-5H3 |
| SMILES | CC1=C(C=C(C(=C1OC)COC(=O)C)CO)OCC=C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gamboa-Angulo, M Marcela; Escalante-Erosa, Fabiola; García-Sosa, Karlina; Alejos-González, Fátima; Delgado-Lamas, Guillermo; Peña-Rodríguez, Luis M Natural zinniol derivatives from Alternaria tagetica. Isolation, synthesis, and structure-activity correlation Journal of Agricultural and Food Chemistry 2002 50 (5) 1053-1058. | ||
|---|---|---|---|
| DOI | 10.1021/jf010641t | PMID | 11853479 |
