Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012433
PROPERTIES
NPAID | NPA012433 |
---|---|
CLUSTER ID | 863 |
NODE ID | 747 |
NAME | Melledonal |
FORMULA | C23H28O8 |
MOLECULAR WEIGHT (Da) | 432.4690 |
ACCURATE MASS (Da) | 432.1784 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Armillaria |
ORIGIN SPECIES | mellea |
InChIKey | BYWJNFQCWYEWHX-GLHKQHFESA-N |
InChI | InChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3/t15-,17-,18-,21-,22-,23+/m1/s1 |
SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Donnelly, Dervilla M. X.; Coveney, Donal J.; Polonsky, Judith MELLEDONAL AND MELLEDONOL, SESQUITERPENE ESTERS FROM ARMILLARIA MELLEA Tetrahedron Letters 1985 26 (43) 5343-5344. | ||
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DOI | 10.1016/s0040-4039(00)95035-4 | PMID | - |