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General Information

This Model was autogenerated from the "Quick Submit" tool.

Model ID

3DPX-015913

Category

Small Molecules

Keyword(s)

KUROMANIN, UNII-Q6NK5V5B5O, Cyanidin 3-glucoside, Cyanidin 3-O-beta-D-glucoside, Cyanidin 3-O-glucoside, Q6NK5V5B5O, CHEBI:28426, Chrysontemin, Glucocyanidin, Chrysanthemin

PubChem CID

441667

Cyanidin 3-O-beta-D-glucoside is an anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. It has a role as a metabolite. It is an anthocyanin cation, a beta-D-glucoside and a monosaccharide derivative. It derives from a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-beta-D-glucoside betaine.

Molecular Weight

g/mol

Molecular Formula

C₁=CC(=C(C=C₁C₂=[O+]C₃=CC(=CC(=C₃C=C₂O[C@H]₄[C@@H]([C@H]([C@@H]([C@H](O₄)CO)O)O)O)O)O)O)O

IUPAC

(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

CAS

47705-70-4

Documentation

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