(Q27108668)

p-Glucosyloxymandelonitrile (English)

5 October 2016

chemical formula

C₁₄H₁₇NO₇

1 reference

p-Glucosyloxymandelonitrile (English)

5 October 2016

canonical SMILES

C1=CC(=CC=C1C(C#N)O)OC2C(C(C(C(O2)CO)O)O)O

1 reference

p-Glucosyloxymandelonitrile (English)

5 October 2016

isomeric SMILES

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

1 reference

p-Glucosyloxymandelonitrile (English)

InChI=1S/C14H17NO7/c15-5-9(17)7-1-3-8(4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9?,10-,11-,12+,13-,14-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

p-Glucosyloxymandelonitrile (English)

RSMOYVJMDHSTEV-MXNNCRBYSA-N

5 October 2016

InChIKey

2 references

p-Glucosyloxymandelonitrile (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

p-Glucosyloxymandelonitrile (English)

RSMOYVJMDHSTEV-MXNNCRBYSA-N

5 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=22660-95-3

1 reference

[4-(beta-D-Glucopyranosyloxy)phenyl](hydroxy)acetonitrile (English)

5 October 2016

1 reference

[4-(beta-D-Glucopyranosyloxy)phenyl](hydroxy)acetonitrile (English)

5 October 2016

1 reference

p-Glucosyloxymandelonitrile (English)

5 October 2016

ChEBI ID

10626

mapping relation type

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

p-Glucosyloxymandelonitrile (English)

5 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

p-Glucosyloxymandelonitrile (English)

5 October 2016

1 reference

p-Glucosyloxymandelonitrile (English)