Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)[C@H](CC1=CC(=O)C(=O)C=C1)N\C=C\C1=CC(=N[C@@H](C1)C([O-])=O)C([O-])=O

InChIKey

InChIKey=DNQOSYMGTWTSSE-JXSWWZISSA-K

Formula

C18H13N2O8

Mass

385.31

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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

Aliphatic heteromonocyclic compounds

Substituents

Betalamic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Dihydropyridinecarboxylic acid derivative - Tricarboxylic acid or derivatives - Quinone - O-benzoquinone - Dihydropyridine - Hydropyridine - Carboxylic acid salt - Ketimine - Cyclic ketone - Ketone - Carboxylic acid derivative - Allylamine - Carboxylic acid - Secondary aliphatic amine - Azacycle - Enamine - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Imine - Organooxygen compound - Organonitrogen compound - Organic anion - Aliphatic 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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