(Q105381106)

English

3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-oxidophenyl)-1λ⁴-chromen-1-ylium

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

580.142820196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₈O₁₅

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canonical SMILES

[O-]C=1C=C(C=CC1O)C2=[O+]C=3C=C(O)C=C(O)C3C=C2OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O

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isomeric SMILES

[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O

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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

2 references

stated in

High-Performance Liquid Chromatography (HPLC) Analysis of Phenolic Compounds in Berries with Diode Array and Electrospray Ionization Mass Spectrometric (MS) Detection: Ribes Species

stated in

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

Ribes rubrum

2 references

stated in

High-Performance Liquid Chromatography (HPLC) Analysis of Phenolic Compounds in Berries with Diode Array and Electrospray Ionization Mass Spectrometric (MS) Detection: Ribes Species

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

Identifiers

InChI

InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

(Q105381106)

3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-oxidophenyl)-1λ⁴-chromen-1-ylium

Statements

Identifiers

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