MSI_000016542

Unreliable

排名分数: 0.62
参考来源: Vitis vinifera (PO:0009086: endocarp)

M/z: 663.1171
Mass Window: 663.1171 ~ 663.1171 (0.3 ppm)

参考注释

(3r,4r,5s,6r)-5-{[(2s,3s,4r,5r)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid_[M+H-2H2O]+ (BioDeep_00002141902)
(3r,4r,5s,6r)-5-{[(2s,3s,4r,5r)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula: C29H30O20 (698.1330379999999)
SMILES:

COc1cc(-c2oc3cc(O[C@H]4OC(C(=O)O)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4OC(C(=O)O)[C@H](O)[C@@H](O)[C@@H]4O)c(OC)c(O)c3c(=O)c2O)ccc1O