Compound Identification
SMILES
OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C\C=C4/C[C@H](NC(=C4)C([O-])=O)C([O-])=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DHHFDKNIEVKVKS-FMOSSLLZSA-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 Hexoses Indolecarboxylic acids O-glycosyl compounds L-alpha-amino acids Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Tetrahydropyridines Oxanes Secondary alcohols Amino acids Shiff bases Carboxylic acid salts Polyols Oxacyclic compounds Acetals Azacyclic compounds Enamines Dialkylamines Carboxylic acids Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Betaxanthin skeleton - Phenolic glycoside - Indolecarboxylic acid derivative - Hexose monosaccharide - Indolecarboxylic acid - O-glycosyl compound - Glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Indole or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Benzenoid - Hydropyridine - Monosaccharide - Oxane - Secondary alcohol - Shiff base - Carboxylic acid salt - Amino acid - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organooxygen compound - Organonitrogen compound - 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