(Q105322476)

English

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

chemical compound

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Statements

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-methyloxan-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

708.205420452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆O₁₅

0 references

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(C)C(O)C(O)C7O

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isomeric SMILES

C[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/C36H36O15/c1-13-29(45)30(46)31(47)36(48-13)51-35-28(26-22(42)9-17(38)10-25(26)49-33(35)14-2-5-16(37)6-3-14)27-23(43)12-20(40)18-11-24(44)32(50-34(18)27)15-4-7-19(39)21(41)8-15/h2-10,12-13,24,28-33,35-47H,11H2,1H3/t13-,24-,28-,29-,30+,31+,32+,33+,35-,36-/m0/s1

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InChIKey

WYQCVHLTCBKNII-QPDSZMFUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105322476)

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

Statements

Identifiers

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