Compound Identification
SMILES
COC1=C(O)C=CC(C=CC(=O)OCC2OC(OC3=C(O)C=C4C(CC(C(O)=O)[N+]4=CC=C4CC(NC(=C4)C(O)=O)C(O)=O)=C3)C(O)C(O)C2O)=C1
InChIKey
InChIKey=BRMDRKOAVZEJCS-UHFFFAOYSA-O
Formula
C34H35N2O16
Mass
727.651
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
Phenolic glycosides Tetracarboxylic acids and derivatives Cinnamic acid esters Coumaric acids and derivatives Indolecarboxylic acids O-glycosyl compounds Alpha amino acids Methoxyphenols Styrenes Phenoxy compounds Anisoles Methoxybenzenes Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Oxanes Monosaccharides Enoate esters Shiff bases Amino acids Secondary alcohols Enamines Dialkylamines Oxacyclic compounds Carboxylic acids Azacyclic compounds Polyols Acetals Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Alkyl aryl ether - Benzenoid - Hydropyridine - Oxane - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Secondary alcohol - Amino acid - Shiff base - Carboxylic acid ester - Polyol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Secondary aliphatic amine - Enamine - Ether - Organoheterocyclic compound - Acetal - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Amine - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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