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Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=C(O)C=C3C(C[C@@H](C([O-])=O)[N+]3=C\C=C3/CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O[C@@H]2O[C@@H](C(O)[C@H](O)C2O)C(O)=O)[C@@H](O)C1O

InChIKey

InChIKey=ATSKDYKYMQVTGH-QAEYCHDZSA-N

Formula

C30H34N2O19

Mass

726.597

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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 - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Tetracarboxylic acid or derivatives - Glucuronic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - Disaccharide - O-glycosyl compound - Glycosyl compound - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Hydropyridine - Pyran - Oxane - Hydroxy acid - Benzenoid - Shiff base - Amino acid or derivatives - Secondary alcohol - Carboxylic acid salt - Amino acid - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Azacycle - Enamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Alcohol - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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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