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
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
Methoxyphenols Alpha amino acids and derivatives Phenethylamines Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Dicarboxylic acids and derivatives Ketimines Amino acids Carboxylic acid salts Azacyclic compounds Enamines Allylamines Carboxylic acids Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
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