Analyte Name

3-Glucosidylalternariol 9-Sulfate Ester Ammonium Salt

Molecular Formula

C20 H20 O13 S . H3 N

Molecular Weight

517.461

Accurate Mass

517.089

SMILES

N.Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3OC(=O)c4c(O)cc(OS(=O)(=O)O)cc4c13

InChI

InChI=1S/C20H20O13S.H3N/c1-7-2-8(30-20-18(25)17(24)16(23)13(6-21)32-20)5-12-14(7)10-3-9(33-34(27,28)29)4-11(22)15(10)19(26)31-12;/h2-5,13,16-18,20-25H,6H2,1H3,(H,27,28,29);1H3/t13-,16-,17+,18-,20-;/m1./s1

IUPAC

azane;[7-hydroxy-1-methyl-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[c]chromen-9-yl] hydrogen sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat