Sinigrin

More details:

• Systematic name

  Potassium 1-S-[(1E)-N-(sulfonatooxy)-3-butenimidoyl]-1-thio-beta-D-glucopyranose

• SMILES

  [K+].[O-]S(=O)(=O)O\N=C(\S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C\C=C

• Std. InChi

  InChI=1S/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

• Std. InChIKey

  QKFAFSGJTMHRRY-OCFLFPRFSA-M

• Cite this record

  CSID:7845584, http://www.chemspider.com/Chemical-Structure.7845584.html (accessed 07:27, Apr 18, 2024)