MSI_000011236

Unreliable

排名分数: 1.71
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)

M/z: 716.1584
Mass Window: 716.1584 ~ 716.1584 (none)

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+NH4]+ (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