4-(beta-D-glucosyloxy)benzoate (Q27108904)

4-(beta-D-glucosyloxy)benzoate (English)

5 October 2016

chemical formula

C₁₃H₁₅O₈⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C(=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

1 reference

4-(beta-D-glucosyloxy)benzoate (English)

5 October 2016

isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

1 reference

4-(beta-D-glucosyloxy)benzoate (English)

InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

4-(beta-D-glucosyloxy)benzoate (English)

XSSDYIMYZONMBL-BZNQNGANSA-M

5 October 2016

InChIKey

2 references

4-(beta-D-glucosyloxy)benzoate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-(beta-D-Glucopyranosyloxy)benzoate (English)

5 October 2016

1 reference

4-(beta-D-glucosyloxy)benzoate (English)

5 October 2016

ChEBI ID

11935

mapping relation type

1 reference

4-(beta-D-glucosyloxy)benzoate (English)

5 October 2016

1 reference

1 reference

4-(beta-D-glucosyloxy)benzoate (English)