Compound Identification
SMILES
OCC1O[C@H](OC2=C(O)C=C3C(C[C@H](C(O)=O)[N+]3=CCC3=CC(=N[C@H](C3)C(O)=O)C(O)=O)=C2)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=MOEDQPBUKSEPHH-ZCSPIJTESA-O
Formula
C24H27N2O13
Mass
551.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
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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 D-alpha-amino acids Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Dihydropyridines Oxanes Ketimines Secondary alcohols Shiff bases Polyols Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Betaxanthin skeleton - Phenolic glycoside - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - D-alpha-amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Indole or derivatives - Dihydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Hydropyridine - Benzenoid - Monosaccharide - Oxane - Ketimine - Shiff base - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organopnictogen compound - Imine - Primary alcohol - Organic oxide - 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