Compound Identification
SMILES
OC[C@H]1O[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](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=ATSKDYKYMQVTGH-JCEATCMUSA-K
Formula
C30H31N2O19
Mass
723.575
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 O-glucuronides Tetracarboxylic acids and derivatives Indolecarboxylic acids Disaccharides O-glycosyl compounds D-alpha-amino acids L-alpha-amino acids Beta hydroxy acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes Shiff bases Amino acids Secondary alcohols Carboxylic acid salts Enamines Oxacyclic compounds Dialkylamines Polyols Carboxylic acids Azacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organopnictogen compounds Organic salts Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Betaxanthin skeleton - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Indolecarboxylic acid - Indolecarboxylic acid derivative - Disaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Indole or derivatives - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Benzenoid - Hydropyridine - Hydroxy acid - Oxane - Pyran - Carboxylic acid salt - Amino acid - Shiff base - Amino acid or derivatives - Secondary alcohol - Carboxylic acid - Enamine - Secondary amine - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Polyol - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen 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