Compound Identification
SMILES
OC[C@H]1O[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](O)[C@@H]1O
InChIKey
InChIKey=DHHFDKNIEVKVKS-LLJBRAPHSA-N
Formula
C24H26N2O13
Mass
550.473
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Betalains
- Subclass Betacyanins and derivatives
-
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
Phenolic glycosides Hexoses Indolecarboxylic acids O-glycosyl compounds L-alpha-amino acids Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Oxanes Shiff bases Secondary alcohols Amino acids Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Acetals Azacyclic compounds Polyols Carboxylic acids Dialkylamines Enamines Oxacyclic compounds Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organopnictogen compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tricarboxylic acid or derivatives - Indole or derivatives - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Hydropyridine - Amino acid - Amino acid or derivatives - Secondary alcohol - Shiff base - Carboxylic acid salt - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Carbonyl group - Alcohol - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - 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