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Structure Information
Structure

Compound Identification

SMILES

CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(O)C=C3C(CC(C(O)=O)[N+]3=CC=C3CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O

InChIKey

InChIKey=GTTSBGCXUNBAOH-UHFFFAOYSA-O

Formula

C36H43N2O23

Mass

871.73

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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 - Hexacarboxylic acid or derivatives - Saccharolipid - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - O-glycosyl compound - Disaccharide - Glycosyl compound - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Beta-hydroxy acid - Tetrahydropyridine - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Hydropyridine - Hydroxy acid - Benzenoid - Oxane - Pyran - Tertiary alcohol - Shiff base - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Secondary amine - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Acetal - Azacycle - Oxacycle - Enamine - Secondary aliphatic amine - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - 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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