Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA010277
PROPERTIES
NPAID | NPA010277 |
---|---|
CLUSTER ID | 863 |
NODE ID | 747 |
NAME | 5'-O-methylmelledonal |
FORMULA | C24H30O8 |
MOLECULAR WEIGHT (Da) | 446.4960 |
ACCURATE MASS (Da) | 446.1941 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Armillaria |
ORIGIN SPECIES | mellea |
InChIKey | PETDNGRBYPTDNI-QSNWBFGMSA-N |
InChI | InChI=1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3/t16-,18-,19-,22-,23+,24+/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)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Donnelly, Dervilla MX; Quigley, Paul F; Coveney, Donal J; Polonsky, Judith Two new sesquiterpene esters from Armillaria mellea Phytochemistry 1987 26 (11) 3075-3077. | ||
---|---|---|---|
DOI | 10.1016/s0031-9422(00)84599-9 | PMID | - |