(Q105136932)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-5-(hydroxymethyl)oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

736.22146444 dalton

1 reference

1 reference

C₃₄H₄₀O₁₈

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canonical SMILES

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

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(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)c(OC)c3)[C@@H]2O)ccc1O

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found in taxon

Persicaria perfoliata

1 reference

stated in

New sucrose phenylpropanoid esters from Polygonum perfoliatum

Smilax bracteata

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stated in

Antioxidant phenylpropanoid glycosides from Smilax bracteata

Identifiers

InChI

InChI=1S/C34H40O18/c1-17(36)47-14-24-28(41)30(43)31(44)33(49-24)52-34(16-35)32(50-27(40)11-7-19-5-9-21(38)23(13-19)46-3)29(42)25(51-34)15-48-26(39)10-6-18-4-8-20(37)22(12-18)45-2/h4-13,24-25,28-33,35,37-38,41-44H,14-16H2,1-3H3/b10-6+,11-7+/t24-,25-,28+,29-,30+,31-,32+,33-,34+/m1/s1

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InChIKey

JYCVXPNFPCYFKL-XRTZUJPISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105136932)

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

Statements

Identifiers

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