Compound Identification
SMILES
[H]OC(=O)C1([H])[N+](=C([H])C([H])=C2C([H])=C(N([H])C([H])(C([O-])=O)C2([H])[H])C([O-])=O)C2=C(C([H])=C(OC3([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C3([H])OC3([H])OC([H])(C(=O)O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])C([O-])=C2[H])C1([H])[H]
InChIKey
InChIKey=ATSKDYKYMQVTGH-UHFFFAOYSA-L
Formula
C30H32N2O19
Mass
724.582
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
Betaxanthins and derivatives Phenolic glycosides O-glucuronides Tetracarboxylic acids and derivatives Indolecarboxylic acids O-glycosyl compounds Disaccharides Alpha amino acids Tetrahydropyridines Phenoxides Beta hydroxy acids and derivatives Pyrans Oxanes Shiff bases Secondary alcohols Carboxylic acid salts Amino acids Polyols Oxacyclic compounds Enamines Dialkylamines Carboxylic acids Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Betaxanthin skeleton - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Tetracarboxylic acid or derivatives - Glucuronic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - O-glycosyl compound - Glycosyl compound - Disaccharide - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Tetrahydropyridine - Phenoxide - Beta-hydroxy acid - Benzenoid - Pyran - Oxane - Hydroxy acid - Hydropyridine - Amino acid - Shiff base - Secondary alcohol - Carboxylic acid salt - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Enamine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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