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Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4\C[C@@H](NC(=C4)C([O-])=O)C([O-])=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=ATSKDYKYMQVTGH-JCEATCMUSA-K

Formula

C30H31N2O19

Mass

723.575

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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 - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Indolecarboxylic acid - Indolecarboxylic acid derivative - Disaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Indole or derivatives - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Benzenoid - Hydropyridine - Hydroxy acid - Oxane - Pyran - Carboxylic acid salt - Amino acid - Shiff base - Amino acid or derivatives - Secondary alcohol - Carboxylic acid - Enamine - Secondary amine - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Polyol - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - 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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