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/C[C@H](NC(=C3)C(O)=O)C(O)=O)=C2)[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-O
Formula
C30H35N2O19
Mass
727.604
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 Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Pyrans Oxanes Shiff bases Secondary alcohols Amino acids Acetals Polyols Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkylamines Enamines Carbonyl compounds Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic cations
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 - Glycosyl compound - O-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 - Benzenoid - Hydropyridine - Oxane - Hydroxy acid - Pyran - Shiff base - Amino acid or derivatives - Amino acid - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic cation - 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