(Q105348556)

English

[(2S,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

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[2-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2,5-bis[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

882.258243872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₄₆O₂₀

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canonical SMILES

O=C(OCC1OC(OC2OC(COC(=O)C)C(O)C(O)C2O)(COC(=O)C=CC3=CC=C(O)C(OC)=C3)C(OC(=O)C=CC4=CC=C(O)C=C4)C1O)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](COC(=O)/C=C/c3ccc(O)c(OC)c3)(O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]2O)ccc1O

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Smilax bracteata

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Antioxidant phenylpropanoid glycosides from Smilax bracteata

Identifiers

InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)16-10-26-7-14-29(47)31(19-26)56-3)41(61-36(50)17-8-24-4-11-27(45)12-5-24)38(52)33(62-43)21-58-34(48)15-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,20-22H2,1-3H3/b15-9+,16-10+,17-8+/t32-,33-,37-,38-,39+,40-,41+,42-,43+/m1/s1

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YHQFVWGSNAWSJL-WWEJWWLMSA-N

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1 reference

15 September 2022

UniChem compound ID

1 reference

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