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