Analyte Name

9-O-(6-O-Malonyl-beta-D-glucopyranosyl) Alternariol

CAS Number

1779520-66-9

Molecular Formula

C23 H22 O13

Molecular Weight

506.413

Accurate Mass

506.106

SMILES

Cc1cc(O)cc2OC(=O)c3c(O)cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3c12

InChI

InChI=1S/C23H22O13/c1-8-2-9(24)3-13-17(8)11-4-10(5-12(25)18(11)22(32)35-13)34-23-21(31)20(30)19(29)14(36-23)7-33-16(28)6-15(26)27/h2-5,14,19-21,23-25,29-31H,6-7H2,1H3,(H,26,27)/t14-,19-,20+,21-,23-/m1/s1

IUPAC

3-[[(2R,3S,4S,5R,6S)-6-(3,7-dihydroxy-1-methyl-6-oxobenzo[c]chromen-9-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat