Analyte Name

Aflatoxin M1-d3

CAS Number

1330042-13-1

Molecular Formula

C17 D3 H9 O7

Molecular Weight

331.291

Accurate Mass

331.077

SMILES

[2H]C([2H])([2H])Oc1cc2O[C@H]3OC=C[C@@]3(O)c2c4OC(=O)C5=C(CCC5=O)c14

InChI

InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1/i1D3

IUPAC

(3R,7R)-3-hydroxy-11-(trideuteriomethoxy)-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione

Unlabelled CAS Number

6795-23-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat