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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(CCN\C=C\C2=CC(=N[C@@H](C2)C([O-])=O)C([O-])=O)=C1

InChIKey

InChIKey=MLDNOXBFWYMRHZ-DYLGSBMWSA-L

Formula

C18H18N2O6

Mass

358.351

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Betalains

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Betalains

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Betalamic acid or derivatives - Alpha-amino acid or derivatives - Methoxyphenol - Dihydropyridinecarboxylic acid derivative - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Phenol - Aralkylamine - Dicarboxylic acid or derivatives - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Ketimine - Allylamine - Organoheterocyclic compound - Ether - Enamine - Carboxylic acid derivative - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Imine - Organonitrogen compound - Organooxygen compound - Organic anion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as betalains. These are organic compounds belonging to the class of Betaxanthins or Betacyanins. This class also contains derivatives of betalamic acid, which is the precursor of betalains.

External Descriptors

Not available

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