MSI_000050067

Unreliable

排名分数: 1.01
参考来源: Mytilus edulis (UBERON:0009120: gill filament)

M/z: 538.1848
Mass Window: 538.1848 ~ 538.1848 (none)

参考注释

3-Demethylsimmondsin 2'-(Z)-ferulate_[M+H]+ (BioDeep_00000025239)
2-{[(2E)-2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Formula: C25H31NO12 (537.1846166)
SMILES: COC1CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C/C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C(O)C1O

3-Demethylsimmondsin 2-(Z)-ferulate is found in coffee and coffee products. 3-Demethylsimmondsin 2-(Z)-ferulate is a constituent of jojoba meal Constituent of jojoba meal. 3-Demethylsimmondsin 2-(Z)-ferulate is found in coffee and coffee products, fats and oils, and nuts.