MSI_000032555

Unreliable

排名分数: 0.97
参考来源: Posidonia oceanica (PO:0005020: vascular bundle)

M/z: 677.1296
Mass Window: 677.1296 ~ 677.1296 (none)

参考注释

(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid_[M+H-H2O]+ (BioDeep_00002077303)
(2s,3s,4s,5r,6s)-6-{[2-(4-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C30H30O19 (694.138123)
SMILES:

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)cc2)[C@H](O)[C@@H](O)[C@@H]1O