Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007231
PROPERTIES
| NPAID | NPA007231 |
|---|---|
| CLUSTER ID | 2345 |
| NODE ID | 1850 |
| NAME | Apiosporic acid |
| FORMULA | C13H20O3 |
| MOLECULAR WEIGHT (Da) | 224.3000 |
| ACCURATE MASS (Da) | 224.1412 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Apiospora |
| ORIGIN SPECIES | montagnei |
| InChIKey | LQQYYLGWHXPFKQ-LZQZFOIKSA-N |
| InChI | InChI=1S/C13H20O3/c1-8-2-4-10-6-9(7-14)3-5-11(10)12(8)13(15)16/h2,4,8-12,14H,3,5-7H2,1H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1 |
| SMILES | C[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@@H]1C(=O)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Klemke, Christine; Kehraus, Stefan; Wright, Anthony D.; Koenig, Gabriele M. New secondary metabolites from the marine endophytic fungus Apiospora montagnei Journal of Natural Products 2004 67 (6) 1058-1063. | ||
|---|---|---|---|
| DOI | 10.1021/np034061x | PMID | 15217297 |
SYNTHESES
| CITATION 1 | Gärtner M; Kossler D; Pflästerer D; Helmchen G Enantioselective total synthesis and absolute configuration of apiosporic acid. Journal of Organic Chemistry 2012 77 (9) 4491-4495. DOI: 10.1021/jo300519g PMID: 22510063 | ||
|---|---|---|---|
