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4-METHOXY-INDOL-3-YLMETHYL-GLUCOSINOLATE;4MI3M
SpectraBase Compound ID 2fGJAwr6efn
InChI InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-/t11-,14-,15+,16-,17+/m1/s1
InChIKey IIAGSABLXRZUSE-KYKLFQSUSA-N
Mol Weight 478.49 g/mol
Molecular Formula C17H22N2O10S2
Exact Mass 478.071587 g/mol
Enantiomer InChIKey IIAGSABLXRZUSE-TVFYKTHXSA-N
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