(Q27127060)

6-O-sinapoylgluconolactone (English)

6 October 2016

chemical formula

C₁₇H₂₀O₁₀

1 reference

6-O-sinapoylgluconolactone (English)

6 October 2016

canonical SMILES

COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(=O)O2)O)O)O

1 reference

6-O-sinapoylgluconolactone (English)

6 October 2016

isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(=O)O2)O)O)O

1 reference

6-O-sinapoylgluconolactone (English)

InChI=1S/C17H20O10/c1-24-9-5-8(6-10(25-2)13(9)19)3-4-12(18)26-7-11-14(20)15(21)16(22)17(23)27-11/h3-6,11,14-16,19-22H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

6-O-sinapoylgluconolactone (English)

PYUYAAQFJLICNF-MXWIPWLSSA-N

6 October 2016

InChIKey

2 references

6-O-sinapoylgluconolactone (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(2R,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate (English)

6 October 2016

1 reference

6-O-sinapoylgluconolactone (English)

6 October 2016

ChEBI ID

60076

mapping relation type

1 reference