Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=C(O)C=C3C(C[C@@H](C(O)=O)[N+]3=CC=C3C[C@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DHHFDKNIEVKVKS-FMOSSLLZSA-O
Formula
C24H27N2O13
Mass
551.48
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
Phenolic glycosides Hexoses Indolecarboxylic acids O-glycosyl compounds L-alpha-amino acids Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Oxanes Secondary alcohols Amino acids Shiff bases Acetals Polyols Azacyclic compounds Carboxylic acids Dialkylamines Enamines Oxacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Alpha-amino acid - L-alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - Tricarboxylic acid or derivatives - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Hydropyridine - Monosaccharide - Benzenoid - Oxane - Secondary alcohol - Shiff base - Amino acid - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Primary alcohol - Alcohol - Organonitrogen compound - Organooxygen 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