MSI_000008254

Reliable

排名分数: 12.29
参考来源: Rattus norvegicus (UBERON:0004360: cauda epididymis)

M/z: 479.1321
Mass Window: 479.132 ~ 479.1321 (0.5 ppm)

参考注释

Lappaphen A_[M+H]+ (BioDeep_00000227216)
3-hydroxy-6,9-dimethylidene-3-(2-oxo-2-{5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}ethyl)-dodecahydroazuleno[4,5-b]furan-2-one

Formula: C27H26O4S2 (478.12724360000004)
SMILES: CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)CC3(C4CCC(=C)C5CCC(=C)C5C4OC3=O)O

Lappaphen b belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Lappaphen b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaphen b can be found in burdock, which makes lappaphen b a potential biomarker for the consumption of this food product.