MSI_000016465

Unreliable

排名分数: 0.9
参考来源: Vitis vinifera (PO:0009086: endocarp)

M/z: 594.0937
Mass Window: 594.0936 ~ 594.0937 (0.3 ppm)

参考注释

Catechin 5,7,-di-O-gallate_[M]+ (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