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Structure Information
Structure

Compound Identification

SMILES

OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(O)C=C3C(CC(C(O)=O)[N+]3=CC=C3CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O

InChIKey

InChIKey=JFSHCYUNIKQIPE-UHFFFAOYSA-O

Formula

C30H37N2O18

Mass

713.621

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