MSI_000053947
Unreliable
排名分数: 3.79
参考来源: MALDI - CHCA (NOVOCELL:BACKGROUND: blank)
M/z: 559.0874
Mass Window: 559.0873 ~ 559.0876 (1.4 ppm)
参考注释
Catechin 5,7,-di-O-gallate_[M+H-2H2O]+ (BioDeep_00000269610)(2R,3S) -3,5,7,3,4-Pentahydroxyflavan 5,7,-di-O-gallate
Formula: C29H22O14 (594.1009512)
SMILES:
C1(OC(=O)C2C=C(O)C(O)=C(O)C=2)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC2=C(OC(C2C=C(O)C(O)=C(O)C=2)=O)C=1