epi-progoitrin

More details:

• Systematic name

  1-S-[(1Z,3S)-3-Hydroxy-N-sulfo-4-pentenimidoyl]-1-thio-beta-D-glucopyranose

• SMILES

  [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\S(O)(=O)=O)/C[C@@H](C=C)O C=C[C@H](C/C(=N/S(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

• Std. InChi

  InChI=1S/C11H19NO9S2/c1-2-5(14)3-7(12-23(18,19)20)22-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7-/t5-,6-,8-,9+,10-,11+/m1/s1

• Std. InChIKey

  LHAVWGNSJBYOAH-KBHNZSCUSA-N

• Cite this record

  CSID:58145376, http://www.chemspider.com/Chemical-Structure.58145376.html (accessed 10:40, Jun 2, 2024)