Glycitin 6''-O-Malonate

Analyte Name

Glycitin 6''-O-Malonate

CAS Number

137705-39-6

Molecular Formula

C25 H24 O13

Molecular Weight

532.45

Accurate Mass

532.122

SMILES

COc1cc(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c3OC=C(C(=O)c3c1)c4ccc(O)cc4

InChI

InChI=1S/C25H24O13/c1-34-13-6-14-20(30)15(11-2-4-12(26)5-3-11)9-36-24(14)16(7-13)37-25-23(33)22(32)21(31)17(38-25)10-35-19(29)8-18(27)28/h2-7,9,17,21-23,25-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,21-,22+,23-,25-/m1/s1

IUPAC

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-8-yl]oxyoxan-2-yl]methoxy]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat