Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019296
PROPERTIES
NPAID | NPA019296 |
---|---|
CLUSTER ID | 863 |
NODE ID | 747 |
NAME | Arnamial |
FORMULA | C24H29ClO6 |
MOLECULAR WEIGHT (Da) | 448.9430 |
ACCURATE MASS (Da) | 448.1653 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Armillaria |
ORIGIN SPECIES | mellea |
InChIKey | KWJJPEZBNLGOFB-RNNQDMPLSA-N |
InChI | InChI=1S/C24H29ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,10,12,14,17,21,27-28H,7-9H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1 |
SMILES | CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)C=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Misiek, Mathias; Williams, Jessica; Schmich, Kathrin; Huettel, Wolfgang; Merfort, Irmgard; Salomon, Christine E.; Aldrich, Courtney C.; Hoffmeister, Dirk Structure and cytotoxicity of arnamial and related fungal sesquiterpene aryl esters Journal of Natural Products 2009 72 (10) 1888-1891. | ||
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DOI | 10.1021/np900314p | PMID | 19795841 |