MSI_000017282

Reliable

排名分数: 3.41
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 566.2834
Mass Window: 566.2833 ~ 566.2835 (0.8 ppm)

参考注释

(2s,3s,4s,5r)-6-{[(3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2r)-4-[(1r)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid_[M+NH4]+ (BioDeep_00002148654)
(2s,3s,4s,5r)-6-{[(3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2r)-4-[(1r)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C25H40O13 (548.246879)
SMILES: CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O