Compound Identification
SMILES
OC1C(COS(O)(=O)=O)OC(OC2=C(O)C=C3C(CC(C(O)=O)[N+]3=CC=C3CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C1O
InChIKey
InChIKey=OZXPZOHWSFDUDY-UHFFFAOYSA-O
Formula
C24H27N2O16S
Mass
631.54
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 Alpha amino acids Monosaccharide sulfates Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Alkyl sulfates Oxanes Secondary alcohols Amino acids Shiff bases Oxacyclic compounds Acetals Polyols Enamines Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Hexose monosaccharide - Indolecarboxylic acid - Indolecarboxylic acid derivative - O-glycosyl compound - Glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - Monosaccharide sulfate - Indole or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Oxane - Monosaccharide - Sulfuric acid monoester - Sulfate-ester - Hydropyridine - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Organic sulfuric acid or derivatives - Amino acid or derivatives - Secondary alcohol - Amino acid - Shiff base - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Alcohol - 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