Compound Identification
SMILES
COC1=C(O)C=CC(C=CC(=O)OC2C(O)C(O)C(OC2OC2C(O)C(O)C(CO)OC2OC2=C(O)C=C3C(CC(C([O-])=O)[N+]3=CC=C3CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)=O)=C1
InChIKey
InChIKey=MPMOZJNSLITZSA-UHFFFAOYSA-N
Formula
C40H42N2O22
Mass
902.768
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
Pentacarboxylic acids and derivatives Phenolic glycosides O-glucuronides Cinnamic acid esters Coumaric acids and derivatives Indolecarboxylic acids Disaccharides O-glycosyl compounds Alpha amino acids Methoxyphenols Anisoles Styrenes Methoxybenzenes Phenoxy compounds Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Alkyl aryl ethers Fatty acid esters Oxanes Pyrans Enoate esters Amino acids Carboxylic acid salts Shiff bases Secondary alcohols Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Acetals Enamines Dialkylamines Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Primary alcohols Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Pentacarboxylic acid or derivatives - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Indolecarboxylic acid - Indolecarboxylic acid derivative - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Styrene - Beta-hydroxy acid - Alkyl aryl ether - Fatty acid ester - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Fatty acyl - Monocyclic benzene moiety - Oxane - Hydroxy acid - Hydropyridine - Benzenoid - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Secondary alcohol - Carboxylic acid salt - Shiff base - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Enamine - Acetal - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Primary alcohol - 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