Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=C([O-])C=C3C(C[C@H](C([O-])=O)[N+]3=C\C=C3\CC([NH2+]C(=C3)C(O)=O)C([O-])=O)=C2)[C@@H]1O
InChIKey
InChIKey=QVBBGNGHCPNDTD-SRLZMARPSA-M
Formula
C33H31N2O15
Mass
695.611
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Betalains
- Subclass Betacyanins and derivatives
-
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 Coumaric acid esters Tetracarboxylic acids and derivatives Indolecarboxylic acids Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds D-alpha-amino acids Styrenes Fatty acid esters Phenoxides Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Enoate esters Secondary alcohols Amino acids Carboxylic acid salts Shiff bases Dialkylamines Azacyclic compounds Acetals Oxacyclic compounds Polyols Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Betacyanin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Coumaric acid ester - Cinnamic acid ester - Indolecarboxylic acid derivative - Cinnamic acid or derivatives - Coumaric acid or derivatives - Indolecarboxylic acid - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - D-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Indole or derivatives - Styrene - Phenol - Phenoxide - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Fatty acid ester - Monocyclic benzene moiety - Hydropyridine - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Shiff base - Secondary alcohol - Carboxylic acid ester - Carboxylic acid salt - Amino acid - Secondary amine - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Azacycle - Organic salt - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen 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