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-POBNKHOBSA-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 L-alpha-amino acids Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Pyrans Oxanes Amino acids Secondary alcohols Shiff bases Carboxylic acid salts Azacyclic compounds Oxacyclic compounds Acetals Carboxylic acids Dialkylamines Enamines Polyols Organic salts Organopnictogen compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Betaxanthin skeleton - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Indolecarboxylic acid - Indolecarboxylic acid derivative - Disaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid - L-alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Beta-hydroxy acid - Hydropyridine - Hydroxy acid - Benzenoid - Oxane - Pyran - Secondary alcohol - Amino acid or derivatives - Amino acid - Shiff base - Carboxylic acid salt - Polyol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Acetal - Organoheterocyclic compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Amine - Organic salt - Organic nitrogen 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