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-N
Formula
C36H42N2O23
Mass
870.723
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
Hexacarboxylic acids and derivatives Saccharolipids Phenolic glycosides O-glucuronides Indolecarboxylic acids Disaccharides O-glycosyl compounds Alpha amino acids Beta hydroxy acids and derivatives Fatty acid esters Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes Tertiary alcohols Amino acids Carboxylic acid esters Shiff bases Carboxylic acid salts Secondary alcohols Oxacyclic compounds Azacyclic compounds Polyols Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines Carboxylic acids Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Hexacarboxylic acid or derivatives - Saccharolipid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - O-glycosyl compound - Glycosyl compound - Disaccharide - Alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Beta-hydroxy acid - Tetrahydropyridine - Fatty acyl - Benzenoid - Oxane - Hydroxy acid - Pyran - Hydropyridine - Tertiary alcohol - Carboxylic acid salt - Amino acid - Carboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Shiff base - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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