Compound Identification
SMILES
OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(O)C=C3C(CC(C(O)=O)[N+]3=CC=C3CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O
InChIKey
InChIKey=JFSHCYUNIKQIPE-UHFFFAOYSA-O
Formula
C30H37N2O18
Mass
713.621
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 Indolecarboxylic acids Disaccharides O-glycosyl compounds Alpha amino acids Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Oxanes Shiff bases Secondary alcohols Amino acids Polyols Oxacyclic compounds Acetals Azacyclic compounds Enamines Dialkylamines Carboxylic acids Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Indolecarboxylic acid derivative - Indolecarboxylic acid - O-glycosyl compound - Disaccharide - Glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Oxane - Hydropyridine - Benzenoid - Amino acid - Shiff base - Amino acid or derivatives - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Carbonyl group - Primary alcohol - Organonitrogen compound - Organooxygen compound - Alcohol - 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