Analyte Name

3-(((2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium Chloride

Molecular Formula

C23 H23 O13 . Cl

Molecular Weight

542.874

Accurate Mass

542.083

SMILES

[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O

InChI

InChI=1S/C23H22O13.ClH/c1-32-13-3-8(4-14(33-2)16(13)26)20-15(7-10-11(25)5-9(24)6-12(10)34-20)35-23-19(29)17(27)18(28)21(36-23)22(30)31;/h3-7,17-19,21,23,27-29H,1-2H3,(H3-,24,25,26,30,31);1H/t17-,18-,19+,21-,23+;/m0./s1

IUPAC

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;chloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat