MSI_000018218

Reliable

排名分数: 0.23
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 831.5957
Mass Window: 831.5956 ~ 831.5958 (0.6 ppm)

参考注释

(2s)-2-[(9z,12z)-octadeca-9,12-dienoyloxy]-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (11e)-icos-11-enoate_[M+Na]+ (BioDeep_00002230992)
(2s)-2-[(9z,12z)-octadeca-9,12-dienoyloxy]-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (11e)-icos-11-enoate

Formula: C47H84O10 (808.6064164000001)
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O