(Q105344707)

English

(2R,3S,4R,5S)-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

petunidin 3-arabinoside cation

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

0 references

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

0 references

found in taxon

Vaccinium myrtillus

2 references

stated in

Structural dependence of HPLC separation pattern of anthocyanins from Bilberry (Vaccinium myrtillus L.).

stated in

Complete assignment of bilberry (Vaccinium myrtillus L.) anthocyanins separated by capillary zone electrophoresis

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+/m0/s1

0 references

InChIKey

XYWFSSFJPFAYCA-DXRQPORESA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYWFSSFJPFAYCA-DXRQPORESA-O

1 reference

(Q105344707)

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

Statements

Identifiers

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