PETUNIDIN-3-O-GALACTOSIDE

Structure

2D structure of PETUNIDIN-3-O-GALACTOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 136664458

Names and identifiers

Name

PETUNIDIN-3-O-GALACTOSIDE

IUPAC name

(2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl)((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxonium chloride

SMILES

COC1=CC(=CC(=C1O)O)C2C(=CC3=C(C=C(C=C3O2)O)O)[OH+][C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O.[Cl-]

General information

Molecular formula

C22H25ClO12

Molecular weight

516.88 g/mol

Monoisotopic mass

516.1035 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Vaccinium myrtillus L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Vaccinium myrtillus L. leaf 189-378 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.