Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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