(Q105236442)

English

[(2S,3R,4S,5R,6R)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2-[3,4-Dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

(2S,3S,4R,6S)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyloxy]-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

760.112307916 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5R,6S)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₂₈O₂₁

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canonical SMILES

O=C(OC1OC(CO)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(OC5=CC=C(O)C(O)=C5O)=C4

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isomeric SMILES

O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Oc2ccc(O)c(O)c2O)c1

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found in taxon

Geum japonicum

1 reference

stated in

A New Hydrolyzable Tannin from Geum japonicum and Its Antiviral Activity

Geum macrophyllum

1 reference

stated in

A New Hydrolyzable Tannin from Geum japonicum and Its Antiviral Activity

Identifiers

InChI

InChI=1S/C33H28O21/c34-9-21-27(46)28(52-30(47)10-3-14(36)22(41)15(37)4-10)29(53-31(48)11-5-16(38)23(42)17(39)6-11)33(51-21)54-32(49)12-7-18(40)24(43)20(8-12)50-19-2-1-13(35)25(44)26(19)45/h1-8,21,27-29,33-46H,9H2/t21-,27-,28+,29-,33+/m1/s1

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InChIKey

RHKFRJASWOWCCU-BWOXOCGVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHKFRJASWOWCCU-BWOXOCGVSA-N

1 reference

(Q105236442)

[(2S,3R,4S,5R,6R)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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