Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=BRMDRKOAVZEJCS-WPUGSIMNSA-O

Formula

C34H35N2O16

Mass

727.651

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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 - Tetracarboxylic acid or derivatives - Cinnamic acid ester - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - L-alpha-amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - Methoxyphenol - Indole or derivatives - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Styrene - Alkyl aryl ether - Phenol - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Hydropyridine - Benzenoid - Monosaccharide - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Shiff base - Carboxylic acid ester - Secondary alcohol - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Acetal - Azacycle - Ether - Enamine - Secondary aliphatic amine - Oxacycle - Secondary amine - Carboxylic acid - Polyol - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen 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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