Compound Identification
SMILES
CCCCCC1=CC(=NC(C([O-])=O)=C1CCCCC)C([O-])=O
InChIKey
InChIKey=VTKPUPRWEBLSQM-UHFFFAOYSA-L
Formula
C17H23NO4
Mass
305.375
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
5-alkyl-2-carboxypyrimidines Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Betalamic acid or derivatives - 5-alkyl-2-carboxypyrimidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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