Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012009
PROPERTIES
| NPAID | NPA012009 |
|---|---|
| CLUSTER ID | 1818 |
| NODE ID | 1472 |
| NAME | (+)-ethyl nonactate |
| FORMULA | C12H22O4 |
| MOLECULAR WEIGHT (Da) | 230.3040 |
| ACCURATE MASS (Da) | 230.1518 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | pumilus |
| InChIKey | TYLXUBSIWBBGAA-YTWAJWBKSA-N |
| InChI | InChI=1S/C12H22O4/c1-4-15-12(14)9(3)11-6-5-10(16-11)7-8(2)13/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1 |
| SMILES | CCOC(=O)[C@@H](C)[C@@H]1CC[C@@H](O1)C[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Han, Li; Huo, Peiyuan; Chen, Huahong; Li, Songtao; Jiang, Yi; Li, Liya; Xu, Lihua; Jiang, Chenglin; Huang, Xueshi New derivatives of nonactic and homononactic acids from Bacillus pumilus derived from Breynia fruticosa Chemistry and Biodiversity 2014 11 (7) 1088-1098. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201300350 | PMID | 25044594 |
