Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005923
PROPERTIES
| NPAID | NPA005923 |
|---|---|
| CLUSTER ID | 2841 |
| NODE ID | 2191 |
| NAME | Xylarinic acid A |
| FORMULA | C13H22O2 |
| MOLECULAR WEIGHT (Da) | 210.3170 |
| ACCURATE MASS (Da) | 210.1620 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | polymorpha |
| InChIKey | OILLDIIQDQVGSY-RXUIJTJXSA-N |
| InChI | InChI=1S/C13H22O2/c1-5-10(2)8-12(4)9-11(3)6-7-13(14)15/h6-7,9-10,12H,5,8H2,1-4H3,(H,14,15)/b7-6+,11-9+ |
| SMILES | CCC(C)CC(C)/C=C(\C)/C=C/C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jang, Yun-Woo; Lee, In-Kyoung; Kim, Young-Sook; Lee, Sangku; Lee, Ho-Jae; Yu, Seung Hun; Yun, Bong-Sik Xylarinic Acids A and B, New Antifungal Polypropionates from the Fruiting Body of Xylaria polymorpha Journal of Antibiotics 2007 60 (11) 696-699. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2007.89 | PMID | 18057699 |
SYNTHESES
| CITATION 1 | Schmidt Y; Lehr K; Colas L; Breit B Assignment of relative configuration of desoxypropionates by 1H NMR spectroscopy: method development, proof of principle by asymmetric total synthesis of xylarinic acid A and applications. Chemistry - A European Journal 2012 18 (23) 7071-81. DOI: 10.1002/chem.201103988 PMID: 22544461 | ||
|---|---|---|---|
