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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(C=CC(=O)OC[C@H]2O[C@H](OC3=C(O)C=C4C(C[C@H](C([O-])=O)[N+]4=CC=C4CC([N+]C(=C4)C([O-])=O)C([O-])=O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)=C1

InChIKey

InChIKey=BHWHGEPYRYKDTK-SZTQRZIJSA-L

Formula

C34H31N2O16

Mass

723.621

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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 - Betaxanthin skeleton - Phenolic glycoside - Tetracarboxylic acid or derivatives - Cinnamic acid ester - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - D-alpha-amino acid - Methoxyphenol - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Phenol - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Hydropyridine - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Shiff base - Secondary alcohol - Carboxylic acid salt - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carbene-type 1,3-dipolar compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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