Compound Identification
SMILES
CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(O)C=C3C(CC(C(O)=O)[N+]3=CC=C3CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O
InChIKey
InChIKey=GTTSBGCXUNBAOH-UHFFFAOYSA-O
Formula
C36H43N2O23
Mass
871.73
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
Hexacarboxylic acids and derivatives Saccharolipids Phenolic glycosides O-glucuronides Indolecarboxylic acids Disaccharides O-glycosyl compounds Alpha amino acids Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Fatty acid esters Pyrans Oxanes Tertiary alcohols Shiff bases Amino acids Secondary alcohols Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Acetals Carboxylic acids Dialkylamines Enamines Polyols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Hexacarboxylic acid or derivatives - Saccharolipid - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - O-glycosyl compound - Disaccharide - Glycosyl compound - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Beta-hydroxy acid - Tetrahydropyridine - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Hydropyridine - Hydroxy acid - Benzenoid - Oxane - Pyran - Tertiary alcohol - Shiff base - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Secondary amine - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Acetal - Azacycle - Oxacycle - Enamine - Secondary aliphatic amine - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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