sinapoyl D-glucoside (Q27103072)

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

5 October 2016

chemical formula

C₁₇H₂₂O₁₀

1 reference

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

5 October 2016

canonical SMILES

COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O

1 reference

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

5 October 2016

isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

1 reference

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17?/m1/s1

5 October 2016

Identifiers

InChI

1 reference

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

XRKBRPFTFKKHEF-CNMVGKJOSA-N

5 October 2016

InChIKey

2 references

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-D-glucopyranose (English)

5 October 2016

1 reference

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside (English)

5 October 2016

ChEBI ID

18428

mapping relation type

2 references

sinapoyl D-glucoside (English)