Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA015542
PROPERTIES
NPAID | NPA015542 |
---|---|
CLUSTER ID | 863 |
NODE ID | 747 |
NAME | Judeol |
FORMULA | C23H30O7 |
MOLECULAR WEIGHT (Da) | 418.4860 |
ACCURATE MASS (Da) | 418.1992 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Armillaria |
ORIGIN SPECIES | mellea |
InChIKey | PTVABGVMGJFKGM-CWYBWDBXSA-N |
InChI | InChI=1S/C23H30O7/c1-10-5-14(25)19(27)20(28)16(10)21(29)30-15-8-23(4)13-7-22(2,3)6-11(13)18(26)12(9-24)17(15)23/h5,11,13,15,18,24-28H,6-9H2,1-4H3/t11?,13?,15-,18+,23+/m1/s1 |
SMILES | CC1=C(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@@H](O)C2CC(C)(C)CC23)C(O)=C(O)C(O)=C1 |
ORIGINAL ISOLATION REFERENCE
CITATION | Donnelly; Abe; Coveney; Fukuda; O'Reilly; Polonsky; Prange Antibacterial sesquiterpene aryl esters from Armillaria mellea Journal of Natural Products 1985 48 (1) 10-16. | ||
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DOI | 10.1021/np50037a002 | PMID | - |