(Q104998256)

English

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,2-Digalloyl-beta-D-glucopyranose

1 reference

based on heuristic

inferred from SMILES

mass

484.08530532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₀O₁₄

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2)C3=CC(O)=C(O)C(O)=C3

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isomeric SMILES

O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

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found in taxon

Cornus officinalis

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stated in

Sedoheptulose digallate from Cornus officinalis

Identifiers

InChI

InChI=1S/C20H20O14/c21-5-12-15(28)16(29)17(33-18(30)6-1-8(22)13(26)9(23)2-6)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1

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InChIKey

FNEQBVHIJSMWKC-IVABAYMNSA-N

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CAS Registry Number

115713-50-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNEQBVHIJSMWKC-IVABAYMNSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FNEQBVHIJSMWKC-IVABAYMNSA-N

(Q104998256)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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