Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019065
PROPERTIES
| NPAID | NPA019065 |
|---|---|
| CLUSTER ID | 439 |
| NODE ID | 397 |
| NAME | Xylarenal B |
| FORMULA | C25H38O5 |
| MOLECULAR WEIGHT (Da) | 418.5740 |
| ACCURATE MASS (Da) | 418.2719 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | persicaria |
| InChIKey | CAFODEOZJJUIRL-LPQHCYBDSA-N |
| InChI | InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-21(27)29-20-14-13-18(3)24(4)15-19(17(2)16-26)22(28)23-25(20,24)30-23/h16,18-20,23H,2,5-15H2,1,3-4H3/t18-,19-,20+,23?,24+,25?/m1/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@H]1CC[C@H]([C@]2(C13C(O3)C(=O)[C@H](C2)C(=C)C=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Smith, Cameron J.; Morin, Nancy R.; Bills, Gerald F.; Dombrowski, Anne W.; Salituro, Gino M.; Smith, Scott K.; Zhao, Annie; MacNeil, Douglas J. Novel sesquiterpenoids from the fermentation of Xylaria persicaria are selective ligands for the NPY Y5 receptor Journal of Organic Chemistry 2002 67 (14) 5001-5004. | ||
|---|---|---|---|
| DOI | 10.1021/jo011054 | PMID | 12098324 |
