(Q104667387)

English

(2R,3R,4R,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavylium compound

0 references

mass

449.10783791209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

petunidin 3-arabinoside cation

1 reference

based on heuristic

inferred from InChI

(2R,3S,4R,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

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(OC3OCC(O)C(O)C3O)C(=[O+]C2C1)C=4C=C(O)C(O)=C(OC)C4

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isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(O)c1O

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found in taxon

Ribes nigrum

1 reference

stated in

Determination of Authenticity of Fruit Jams by HPLC Analysis of Anthocyanins

Vaccinium angustifolium

2 references

stated in

Determination of Authenticity of Fruit Jams by HPLC Analysis of Anthocyanins

stated in

Quantitation and Distribution of Simple and Acylated Anthocyanins and Other Phenolics in Blueberries

Rubus idaeus

1 reference

stated in

Determination of Authenticity of Fruit Jams by HPLC Analysis of Anthocyanins

strawberries

1 reference

stated in

Determination of Authenticity of Fruit Jams by HPLC Analysis of Anthocyanins

Prunus avium

1 reference

stated in

Determination of Authenticity of Fruit Jams by HPLC Analysis of Anthocyanins

Vaccinium corymbosum

2 references

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

stated in

Quantitation and Distribution of Simple and Acylated Anthocyanins and Other Phenolics in Blueberries

Vitis aestivalis

1 reference

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Vitis vinifera

1 reference

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Rubus

1 reference

stated in

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Identifiers

InChI

InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18-,19-,21-/m1/s1

0 references

InChIKey

XYWFSSFJPFAYCA-JRJNMRRASA-O

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104667387)

(2R,3R,4R,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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