(Q105246884)

English

(2R)-2alpha-(3,4-Dihydroxyphenyl)-8-[(2R)-2alpha-(4-hydroxyphenyl)-3beta-(beta-D-glucopyranosyloxy)-5,7-dihydroxychroman-4alpha-yl]chroman-3beta,5,7-triol

chemical compound

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instance of

type of chemical entity

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subclass of

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

1 reference

based on heuristic

inferred from SMILES

mass

724.200335072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆O₁₆

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canonical SMILES

OC1=CC=C(C=C1)C2OC=3C=C(O)C=C(O)C3C(C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5)C2OC7OC(CO)C(O)C(O)C7O

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isomeric SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Quercus ilex

1 reference

stated in

Proanthocyanidin glycosides from the leaves of Quercus ilex L. (Fagaceae)

Identifiers

InChI

InChI=1S/C36H36O16/c37-12-25-29(46)30(47)31(48)36(50-25)52-35-28(26-21(43)8-16(39)9-24(26)49-33(35)13-1-4-15(38)5-2-13)27-22(44)11-19(41)17-10-23(45)32(51-34(17)27)14-3-6-18(40)20(42)7-14/h1-9,11,23,25,28-33,35-48H,10,12H2/t23-,25+,28-,29+,30-,31+,32+,33+,35-,36-/m0/s1

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InChIKey

RXAUKFAEOYCJSH-LHGZWCACSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105246884)

(2R)-2alpha-(3,4-Dihydroxyphenyl)-8-[(2R)-2alpha-(4-hydroxyphenyl)-3beta-(beta-D-glucopyranosyloxy)-5,7-dihydroxychroman-4alpha-yl]chroman-3beta,5,7-triol

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Identifiers

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