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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Betalains
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Betalains
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Betalains
Alternative Parents
L-alpha-amino acids Tricarboxylic acids and derivatives Dihydropyridinecarboxylic acids and derivatives O-benzoquinones Ketimines Carboxylic acid salts Enamines Dialkylamines Carboxylic acids Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives Organic anions
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