MSI_000038555

Unreliable

排名分数: 1.6
参考来源: Posidonia oceanica (PO:0005059: root endodermis)

M/z: 339.1017
Mass Window: 339.1017 ~ 339.1017 (0.1 ppm)

参考注释

4-O-p-Coumaroylquinic acid_[M+H]+ (BioDeep_00000004041)
(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

Formula: C16H18O8 (338.1001628)
SMILES: [C@@]1(C[C@H]([C@H]([C@@H](C1)O)OC(=O)/C=C/c1ccc(cc1)O)O)(O)C(=O)O

4-o-p-coumaroylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-o-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-p-coumaroylquinic acid can be found in loquat, which makes 4-o-p-coumaroylquinic acid a potential biomarker for the consumption of this food product.