(Q105128870)

English

[(2S,3S,4R,5R)-2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

710.226943744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₂₀

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canonical SMILES

O=C(OC1C(O)C(OC1(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)CO)CO)C=CC4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc(OC)c1O

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found in taxon

Polygala arillata

1 reference

stated in

Oligosaccharide esters from the roots of Polygala arillata

Identifiers

InChI

InChI=1S/C29H42O20/c1-42-12-5-11(6-13(43-2)18(12)35)3-4-17(34)46-26-20(37)15(8-31)48-29(26,10-33)49-28-24(41)22(39)25(16(9-32)45-28)47-27-23(40)21(38)19(36)14(7-30)44-27/h3-6,14-16,19-28,30-33,35-41H,7-10H2,1-2H3/b4-3+/t14-,15-,16-,19-,20-,21+,22-,23-,24-,25-,26+,27+,28-,29+/m1/s1

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InChIKey

JIAQZQOOHZCDKY-HDLBCVGZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JIAQZQOOHZCDKY-HDLBCVGZSA-N

1 reference

(Q105128870)

[(2S,3S,4R,5R)-2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Statements

Identifiers

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