Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](COS([O-])(=O)=O)O[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]1O
InChIKey
InChIKey=OZXPZOHWSFDUDY-RYGANQNKSA-K
Formula
C24H23N2O16S
Mass
627.51
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 D-alpha-amino acids L-alpha-amino acids Monosaccharide sulfates Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Alkyl sulfates Oxanes Shiff bases Secondary alcohols Amino acids Carboxylic acid salts Enamines Dialkylamines Oxacyclic compounds Carboxylic acids Acetals Polyols Azacyclic compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic salts Organic oxides 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 - Alpha-amino acid - Monosaccharide sulfate - Alpha-amino acid or derivatives - D-alpha-amino acid - L-alpha-amino acid - Indole or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Hydropyridine - Oxane - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Monosaccharide - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Amino acid - Amino acid or derivatives - Secondary alcohol - Carboxylic acid salt - Shiff base - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - 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