(Q104985827)

English

[4-oxo-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

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[4-Oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

450.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C(OCC=1OC=CC(=O)C1OC2OC(CO)C(O)C(O)C2O)C=CC3=CC=C(O)C=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OCc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

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1 reference

Maltol glucosides from the tuber of Smilax bockii

Identifiers

InChI=1S/C21H22O11/c22-9-14-17(26)18(27)19(28)21(31-14)32-20-13(24)7-8-29-15(20)10-30-16(25)6-3-11-1-4-12(23)5-2-11/h1-8,14,17-19,21-23,26-28H,9-10H2/b6-3+/t14-,17+,18-,19+,21+/m1/s1

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DNXJKXABJCBGPY-JFOSOHFRSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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