(Q104888514)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 4-hydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

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3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

446.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₂O₁₀

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canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O)C=CC3=CC=C(O)C=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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Spiraea canescens

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Hemiterpene glucosides and other constituents from Spiraea canescens.

Identifiers

InChI=1S/C22H22O10/c23-14-6-1-12(2-7-14)3-10-17(25)30-11-16-18(26)19(27)20(28)22(31-16)32-21(29)13-4-8-15(24)9-5-13/h1-10,16,18-20,22-24,26-28H,11H2/b10-3+/t16-,18-,19+,20-,22+/m1/s1

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APEWWGUQMHOMDD-UUEPMHOOSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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