MSI_000016756
Unreliable
排名分数: 0.07
参考来源: Vitis vinifera (PO:0009086: endocarp)
M/z: 622.0884
Mass Window: 622.0884 ~ 622.0885 (0.6 ppm)
参考注释
[(4r,5s,7r,8s,11r,12r,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid_[M]+ (BioDeep_00002084371)[(4r,5s,7r,8s,11r,12r,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid
Formula: C26H22O18 (622.0806112)
SMILES:
O=C(O)C[C@H]1C(=O)O[C@H]2[C@H](O)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]1C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2CO
