SINIGRIN(3952-98-5) IR1
Molecular FormulaC10H17NO9S2.K
Molecular Weight398.47
InChIInChI=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+;/s3
InChIKey QKFAFSGJTMHRRY-MSSAZMNQNA-M
Smiles[C@H]1(S/C(/CC=C)=N/OS([O-])(=O)=O)[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O.[K+] |&1:0,12,14,15,17,r|
