(Q111734642)

English

(2R,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

449.10783791209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

cyanidin 3-O-beta-D-galactoside(1+)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

cyanidin 3-O-β-D-glucoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₁O₁₁⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=CC(O)=C(O)C4

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isomeric SMILES

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

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found in taxon

strawberries

1 reference

stated in

Overall dietary polyphenol intake in a bowl of strawberries: The influence of Fragaria spp. in nutritional studies

Vaccinium

4 references

stated in

Oxygen radical absorbing capacity of phenolics in blueberries, cranberries, chokeberries, and lingonberries

stated in

Urinary excretion of anthocyanins in humans after cranberry juice ingestion

stated in

Cranberries and their bioactive constituents in human health

stated in

Phytochemicals of cranberries and cranberry products: characterization, potential health effects, and processing stability

Identifiers

InChI

InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m0/s1

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InChIKey

RKWHWFONKJEUEF-KKKDIUQISA-O

0 references

1 reference

17 September 2022

inferred from InChIKey

Human Metabolome Database ID

HMDB0304661

1 reference

based on heuristic

inferred from InChIKey

(Q111734642)

(2R,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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