Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013588
PROPERTIES
| NPAID | NPA013588 |
|---|---|
| CLUSTER ID | 404 |
| NODE ID | 363 |
| NAME | Xyloketal D |
| FORMULA | C15H18O4 |
| MOLECULAR WEIGHT (Da) | 262.3050 |
| ACCURATE MASS (Da) | 262.1205 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | sp. (no. 2508) |
| InChIKey | IIAGASOFCPRGKH-IBRIGMFSSA-N |
| InChI | InChI=1S/C15H18O4/c1-8-7-18-15(3)12(8)6-11-13(19-15)5-4-10(9(2)16)14(11)17/h4-5,8,12,17H,6-7H2,1-3H3/t8-,12+,15+/m0/s1 |
| SMILES | C[C@H]1CO[C@]2([C@@H]1CC3=C(O2)C=CC(=C3O)C(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin; Wu; Feng; Jiang; Luo; Zhou; Vrijmoed; Jones; Krohn; Steingroever; Zsila Five unique compounds: Xyloketals from mangrove fungus Xylaria sp. from the South China Sea coast Journal of Organic Chemistry 2001 66 (19) 6252-6256. | ||
|---|---|---|---|
| DOI | 10.1021/jo015522r | PMID | 11559170 |
