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Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H](OC2=CC3=C(C=C2O)[N+](=CC=C2C[C@H](NC(=C2)C([O-])=O)C([O-])=O)[C@@H](C3)C([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=DHHFDKNIEVKVKS-KOLAXLCUSA-L

Formula

C24H24N2O13

Mass

548.458

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Betalains

Subclass

Betacyanins and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Betacyanins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Betacyanin - Betaxanthin skeleton - Phenolic glycoside - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Tricarboxylic acid or derivatives - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Benzenoid - Oxane - Monosaccharide - Hydropyridine - Amino acid - Shiff base - Secondary alcohol - Carboxylic acid salt - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Enamine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as betacyanins and derivatives. These are organic compounds containing a glycoside of indolium-2-carboxylic acid attached, with the nitrogen ring of the indolium ring attached to an ethylpyridine-2,6-dicarboxylic acid derivative. Betacyanins are red nitrogenous pigments found in certain plants, such as beetroots.

External Descriptors

Not available

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