Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004416
PROPERTIES
| NPAID | NPA004416 |
|---|---|
| CLUSTER ID | 2299 |
| NODE ID | 1818 |
| NAME | 3R-[3R-(3R-Hydroxybutyryloxy)-butyryloxy)buteric acid |
| FORMULA | C12H20O7 |
| MOLECULAR WEIGHT (Da) | 276.2850 |
| ACCURATE MASS (Da) | 276.1209 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hypoxylon |
| ORIGIN SPECIES | truncatum |
| InChIKey | CWLWBMWELZSMPG-ZAZKALAHSA-N |
| InChI | InChI=1S/C12H20O7/c1-7(13)4-11(16)19-9(3)6-12(17)18-8(2)5-10(14)15/h7-9,13H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9?/m1/s1 |
| SMILES | C[C@H](CC(=O)OC(C)CC(=O)O[C@H](C)CC(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Quang, Dang Ngoc; Hashimoto, Toshihiro; Toyota, Masao; Asakawa, Yoshinori Occurrence of a High Concentration of Spider Pheromones in the Ascomycete Fungus Hypoxylon truncatum Journal of Natural Products 2003 66 (12) 1613-1614. | ||
|---|---|---|---|
| DOI | 10.1021/np030185y | PMID | 14695807 |
