Compounds
COMPOUND NPA012502
PROPERTIES
| NPAID | NPA012502 |
|---|---|
| CLUSTER ID | 4688 |
| NODE ID | 83 |
| NAME | Walleminone |
| FORMULA | C15H24O3 |
| MOLECULAR WEIGHT (Da) | 252.3540 |
| ACCURATE MASS (Da) | 252.1725 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Wallemia |
| ORIGIN SPECIES | sebi |
| InChIKey | NGQXJSTYWWTPOG-VGYDOTAVSA-N |
| InChI | InChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1 |
| SMILES | C[C@H]1[C@@H]([C@@H](CC(=C)[C@@H]2CC([C@@H]2CC1=O)(C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Frank, Michael; Kingston, Emily; Jeffery, John C.; Moss, Maurice O.; Murray, Martin; Simpson, Thomas J.; Sutherland, Andrew Walleminol and walleminone, novel caryophyllenes from the toxigenic fungus Wallemia sebi Tetrahedron Letters 1999 40 (1) 133-136. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(98)80039-7 | PMID | - |
