(Q105346216)

English

(2R,3R,4S,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Malvidin 3-rutinoside

1 reference

based on heuristic

inferred from SMILES

mass

639.19196146009 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₅O₁₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=[O+]C2C1)C=5C=C(OC)C(O)=C(OC)C5

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isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

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found in taxon

Vaccinium padifolium

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stated in

Anthocyanins in blue berries of Vaccinium padifolium

Triticum aestivum

1 reference

stated in

Compositional and antioxidant properties of anthocyanin-rich products prepared from purple wheat.

potato

2 references

stated in

Metabolite profiling of red and blue potatoes revealed cultivar and tissue specific patterns for anthocyanins and other polyphenols.

stated in

The effect of frying on anthocyanin stability and antioxidant activity of crisps from red- and purple-fleshed potatoes (Solanum tuberosum L.)

Identifiers

InChI

InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(42-10)41-9-19-22(34)24(36)26(38)29(45-19)44-18-8-13-14(31)6-12(30)7-15(13)43-27(18)11-4-16(39-2)21(33)17(5-11)40-3/h4-8,10,19-20,22-26,28-29,32,34-38H,9H2,1-3H3,(H2-,30,31,33)/p+1/t10-,19+,20-,22+,23-,24-,25+,26+,28+,29+/m0/s1

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InChIKey

YCDMGCUGMVVWAB-YAGJAPKFSA-O

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105346216)

(2R,3R,4S,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

Statements

Identifiers

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