(Q27108292)

sinigrin anion (English)

5 October 2016

0 references

C₁₀H₁₆NO₉S₂⁻

1 reference

sinigrin anion (English)

5 October 2016

canonical SMILES

C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O

1 reference

sinigrin anion (English)

5 October 2016

isomeric SMILES

C=CC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

sinigrin anion (English)

InChI=1S/C10H17NO9S2/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)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

sinigrin anion (English)

PHZOWSSBXJXFOR-GLVDENFASA-M

5 October 2016

InChIKey

2 references

sinigrin anion (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

sinigrin anion (English)

5 October 2016

Reaxys registry number

1407048

1 reference

sinigrin(1-) (English)

5 October 2016

ChEBI ID

9162

mapping relation type

1 reference