Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012458
PROPERTIES
| NPAID | NPA012458 |
|---|---|
| CLUSTER ID | 4677 |
| NODE ID | 3404 |
| NAME | Trimethyl 4-hydroxy-4,5-dicarboxy-14-pentadecenoate |
| FORMULA | C20H34O7 |
| MOLECULAR WEIGHT (Da) | 386.4850 |
| ACCURATE MASS (Da) | 386.2305 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | solitum |
| InChIKey | PYMFODJLNHATSF-QRIPLOBPSA-N |
| InChI | InChI=1S/C20H34O7/c1-5-6-7-8-9-10-11-12-13-16(18(22)26-3)20(24,19(23)27-4)15-14-17(21)25-2/h5,16,24H,1,6-15H2,2-4H3/t16-,20?/m1/s1 |
| SMILES | COC(=O)CCC([C@H](CCCCCCCCC=C)C(=O)OC)(C(=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Donald B.; Stierle, Andrea A.; Girtsman, Teri; McIntyre, Kyle; Nichols, Jesse Caspase-1 and -3 inhibiting drimane sesquiterpenoids from the extremophilic fungus Penicillium solitum Journal of Natural Products 2012 75 (2) 262-266. | ||
|---|---|---|---|
| DOI | 10.1021/np200528n | PMID | 22276851 |
