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Details for Sinigrin

Sinigrin

111Category:

CAS NO:

3952-98-5

EC NO:

223-545-8

Molecular Formula:

C₁₀H₁₆KNO₉S₂

Molecular Weight:

397.4636

Specification:

InChI:

InChI=1/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6-;/t5-,7-,8+,9-,10+;/m1./s1

Synonyms:

Sinigrin monohydrate from horseradish;potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate;Sinigrin;1-S-[(1E)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose;tritium;potassium 1-S-[(1Z)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose;

Molecular Structure: