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-N
Formula
C34H34N2O16
Mass
726.644
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 Anisoles Phenoxy compounds Methoxybenzenes Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Oxanes Monosaccharides Enoate esters Secondary alcohols Amino acids Carboxylic acid salts Shiff bases Acetals Propargyl-type 1,3-dipolar organic compounds Polyols Azacyclic compounds Carboxylic acids Oxacyclic compounds Enamines Dialkylamines Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Indolecarboxylic acid derivative - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Indolecarboxylic acid - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Methoxybenzene - Phenol ether - Phenoxy compound - Styrene - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Tetrahydropyridine - Fatty acid ester - Hydropyridine - Oxane - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Shiff base - Carboxylic acid salt - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Enamine - Ether - Secondary amine - Polyol - Organopnictogen compound - Organic salt - Amine - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxygen 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