Compound Identification
SMILES
OC[C@H]1O[C@H](OC2=CC3=C(C=C2O)[N+](=CC=C2C[C@H](NC(=C2)C([O-])=O)C([O-])=O)[C@@H](C3)C([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DHHFDKNIEVKVKS-KOLAXLCUSA-L
Formula
C24H24N2O13
Mass
548.458
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Betalains
- Subclass Betacyanins and derivatives
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Class
Betalains
-
Superclass
Alkaloids and derivatives
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
Betaxanthins and derivatives Phenolic glycosides Indolecarboxylic acids Hexoses O-glycosyl compounds L-alpha-amino acids Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Oxanes Shiff bases Secondary alcohols Carboxylic acid salts Amino acids Polyols Oxacyclic compounds Enamines Dialkylamines Carboxylic acids Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Betaxanthin skeleton - Phenolic glycoside - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Tricarboxylic acid or derivatives - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Benzenoid - Oxane - Monosaccharide - Hydropyridine - Amino acid - Shiff base - Secondary alcohol - Carboxylic acid salt - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Enamine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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