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(Q104969452)
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English
Cyanidin 4'-O-beta-glucopyranoside
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
2-[3-hydroxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-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(O)C(=[O+]C2C1)C=3C=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C3
0 references
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
0 references
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-GQUPQBGVSA-O
0 references
PubChem CID
5316221
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
49490661
1 reference
stated in
UniChem
KNApSAcK ID
C00062602
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CSNMEDJMOXSNRZ-GQUPQBGVSA-O
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