Analyte Name

Genistin 6''-O-Malonate

CAS Number

51011-05-3

Molecular Formula

C24 H22 O13

Molecular Weight

518.424

Accurate Mass

518.106

SMILES

O[C@@H]1[C@@H](COC(=O)CC(=O)O)O[C@@H](Oc2ccc(O)c3C(=O)C(=COc23)c4ccc(O)cc4)[C@H](O)[C@H]1O

InChI

InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)12-8-35-23-14(6-5-13(26)18(23)19(12)30)36-24-22(33)21(32)20(31)15(37-24)9-34-17(29)7-16(27)28/h1-6,8,15,20-22,24-26,31-33H,7,9H2,(H,27,28)/t15-,20-,21+,22-,24-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat