Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(O)C=C3C(C[C@@H](C(O)=O)[N+]3=C\C=C3/C[C@H](NC(=C3)C(O)=O)C(O)=O)=C2)C(O)=O)=C1
InChIKey
InChIKey=MPMOZJNSLITZSA-VSOFAJKKSA-O
Formula
C40H43N2O22
Mass
903.775
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 Phenolic glycosides O-glucuronides Cinnamic acid esters Coumaric acids and derivatives Indolecarboxylic acids Disaccharides O-glycosyl compounds L-alpha-amino acids Methoxyphenols Phenoxy compounds Anisoles Styrenes Methoxybenzenes Alkyl aryl ethers Beta hydroxy acids and derivatives Tetrahydropyridines Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes Enoate esters Secondary alcohols Amino acids Shiff bases Acetals Azacyclic compounds Enamines Carboxylic acids Oxacyclic compounds Dialkylamines Primary alcohols Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic cations
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 - Alpha-amino acid - Alpha-amino acid or derivatives - Methoxyphenol - L-alpha-amino acid - Indole or derivatives - Methoxybenzene - Anisole - Styrene - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Tetrahydropyridine - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Alkyl aryl ether - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Hydropyridine - Hydroxy acid - Pyran - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Shiff base - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Acetal - Enamine - Ether - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Amine - Organonitrogen compound - Organic oxygen compound - 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