(Q104969451)

English

2-[3-hydroxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

flavylium compound

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mass

449.10783791209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cyanidin 4'-O-beta-glucopyranoside

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(O)C(=[O+]C2C1)C=3C=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C3

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isomeric SMILES

OC[C@H]1O[C@@H](Oc2ccc(-c3[o+]c4cc(O)cc(O)c4cc3O)cc2O)[C@@H](O)[C@H](O)[C@@H]1O

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found in taxon

Allium cepa

1 reference

stated in

Anthocyanins with 4'-glucosidation from red onion, Allium cepa

Identifiers

InChI

InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18-,19+,21-/m1/s1

0 references

InChIKey

CSNMEDJMOXSNRZ-BKZNIZDZSA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSNMEDJMOXSNRZ-BKZNIZDZSA-O

(Q104969451)

2-[3-hydroxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-triol

Statements

Identifiers

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