Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=C(O)C=C3C(C[C@@H](C([O-])=O)[N+]3=C\C=C3/CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O[C@@H]2O[C@@H](C(O)[C@H](O)C2O)C(O)=O)[C@@H](O)C1O
InChIKey
InChIKey=ATSKDYKYMQVTGH-QAEYCHDZSA-N
Formula
C30H34N2O19
Mass
726.597
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
Phenolic glycosides O-glucuronides Tetracarboxylic acids and derivatives Indolecarboxylic acids Disaccharides O-glycosyl compounds L-alpha-amino acids Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Tetrahydropyridines Pyrans Oxanes Amino acids Carboxylic acid salts Secondary alcohols Shiff bases Azacyclic compounds Oxacyclic compounds Enamines Dialkylamines Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Polyols Acetals Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Tetracarboxylic acid or derivatives - Glucuronic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - Disaccharide - O-glycosyl compound - Glycosyl compound - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Hydropyridine - Pyran - Oxane - Hydroxy acid - Benzenoid - Shiff base - Amino acid or derivatives - Secondary alcohol - Carboxylic acid salt - Amino acid - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Azacycle - Enamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Alcohol - Primary 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