(Q104908888)

English

(2R,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

flavylium compound

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mass

433.11292329209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

pelargonidin 3-galactoside ion

1 reference

based on heuristic

inferred from InChI

(2R,3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

pelargonidin 3-glucoside ion

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₁O₁₀⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=CC(=CC1)C2=[O+]C=3C=C(O)C=C(O)C3C=C2OC4OC(CO)C(O)C(O)C4O

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isomeric SMILES

OC[C@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O

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found in taxon

Aronia melanocarpa

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Ribes nigrum

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Ribes rubrum

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stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Ribes uva-crispa

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Sambucus nigra

1 reference

stated in

Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity

Identifiers

InChI

InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17+,18+,19-,21+/m1/s1

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InChIKey

ABVCUBUIXWJYSE-CWVBCOCOSA-O

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1 reference

17 September 2022

inferred from InChIKey

(Q104908888)

(2R,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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