Compound Identification
SMILES
OC[C@@H]1O[C@@H](OC2=C(O)C=C3C(C[C@@H](C([O-])=O)[N+]3=CC=C3C[C@H]([N+]C(=C3)C([O-])=O)C([O-])=O)=C2)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2OC(=O)C=CC2=CC=C(O)C=C2)C([O-])=O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=JUYADQMJMIQECT-SBNNACHKSA-K
Formula
C39H36N2O21
Mass
868.711
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
Pentacarboxylic acids and derivatives Betaxanthins and derivatives Phenolic glycosides O-glucuronides Coumaric acid esters Indolecarboxylic acids Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds Disaccharides L-alpha-amino acids Styrenes Tetrahydropyridines Fatty acid esters Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes Enoate esters Shiff bases Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Carbene-type 1,3-dipolar compounds Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Pentacarboxylic acid or derivatives - Betaxanthin skeleton - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Coumaric acid ester - Cinnamic acid ester - Indolecarboxylic acid derivative - Indolecarboxylic acid - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Phenol - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Benzenoid - Pyran - Oxane - Hydroxy acid - Hydropyridine - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Shiff base - Secondary alcohol - Carboxylic acid salt - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carbene-type 1,3-dipolar compound - 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 - 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