Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](COS(O)(=O)=O)O[C@@H](OC2=C(O)C=C3C(C[C@@H](C(O)=O)[N+]3=C\C=C3/C[C@@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@H](O)[C@H]1O

InChIKey

InChIKey=OZXPZOHWSFDUDY-RYGANQNKSA-O

Formula

C24H27N2O16S

Mass

631.54

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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 - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Monosaccharide sulfate - L-alpha-amino acid - D-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Tricarboxylic acid or derivatives - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Hydropyridine - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Monosaccharide - Oxane - Benzenoid - Organic sulfuric acid or derivatives - Amino acid or derivatives - Shiff base - Amino acid - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen compound - 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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