Compound Identification
SMILES
OC1=C(O)C=C(CCN\C=C\C2=CC(=N[C@@H](C2)C([O-])=O)C([O-])=O)C=C1
InChIKey
InChIKey=OBOHVTYKFOAOLV-BPJJOFIESA-L
Formula
C17H16N2O6
Mass
344.324
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
Catecholamines and derivatives Alpha amino acids and derivatives Phenethylamines Dihydropyridinecarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Dicarboxylic acids and derivatives Carboxylic acid salts Ketimines Dialkylamines Carboxylic acids Azacyclic compounds Allylamines Enamines Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Betalamic acid or derivatives - Catecholamine - Alpha-amino acid or derivatives - Phenethylamine - Dihydropyridinecarboxylic acid derivative - Catechol - Dihydropyridine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Hydropyridine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Ketimine - Carboxylic acid salt - Carboxylic acid derivative - Allylamine - Carboxylic acid - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Enamine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Imine - 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