(Q27125128)

Glucotropaeolin (English)

6 October 2016

chemical formula

C₁₄H₁₈NO₉S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C=C1)CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O

1 reference

Glucotropaeolin (English)

6 October 2016

isomeric SMILES

C1=CC=C(C=C1)C/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

1 reference

Glucotropaeolin (English)

InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

Glucotropaeolin (English)

QQGLQYQXUKHWPX-RFEZBLSLSA-M

6 October 2016

InChIKey

2 references

Glucotropaeolin (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-S-[2-phenyl-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose (English)

6 October 2016

1 reference

Glucotropaeolin (English)

6 October 2016

Reaxys registry number

1671233

1 reference

glucotropeolin(1-) (English)

6 October 2016

ChEBI ID

58021

mapping relation type

1 reference