Analyte Name

Alternariol-9-methylether-3-beta-D-(6'-malonyl)-glucoside

CAS Number

1779520-71-6

Molecular Formula

C24 H24 O13

Molecular Weight

520.44

Accurate Mass

520.122

SMILES

COc1cc(O)c2C(=O)Oc3cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@H](O)[C@H](O)[C@@H]4O)cc(C)c3c2c1

InChI

InChI=1S/C24H24O13/c1-9-3-11(6-14-18(9)12-4-10(33-2)5-13(25)19(12)23(32)36-14)35-24-22(31)21(30)20(29)15(37-24)8-34-17(28)7-16(26)27/h3-6,15,20-22,24-25,29-31H,7-8H2,1-2H3,(H,26,27)/t15?,20-,21-,22-,24+/m0/s1

IUPAC

3-oxo-3-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl)oxyoxan-2-yl]methoxy]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat