PAEONIDIN-3-O-BETA-D-GLUCOSIDE

Structure

2D structure of PAEONIDIN-3-O-BETA-D-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 443654

Names and identifiers

Name

PAEONIDIN-3-O-BETA-D-GLUCOSIDE

Also reported as

PEONIDIN-3-O-BETA-D-GLUCOSIDE

IUPAC name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium

SMILES

COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

General information

Molecular formula

C22H23O11+

Molecular weight

463.42 g/mol

Monoisotopic mass

463.1235 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Erodium cicutarium (L.) L'Hér. flower -
Medrano, M.A., Frontera, M.A., Tomas, M.A. (1978). Anthocyanins in the flowers of Erodium cicutarium L. and Erodium malacoides L. An Asoc Quim Argent, 66(2), 107-108
Vaccinium myrtillus L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.