Compound Identification
SMILES
[Na].NC(CO)(CO)CO.NC1=C(C=C2C3=C(CCC3C(CC(O)=O)S(O)(=O)=O)C(=O)OC2=C1S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=OPKLDDGTJSXSTR-UHFFFAOYSA-N
Formula
C19H26N2NaO16S3
Mass
657.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans 1-sulfo,2-unsubstituted aromatic compounds Thia fatty acids Pyranones and derivatives Benzenoids Sulfonyls Alkanesulfonic acids Heteroaromatic compounds Organosulfonic acids Lactones Amino acids 1,2-aminoalcohols Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Organic alkali metal salts Monoalkylamines Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Coumarin - Benzopyran - 1-benzopyran - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyranone - Thia fatty acid - Pyran - Benzenoid - Fatty acyl - Alkanesulfonic acid - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-aminoalcohol - Amino acid - Amino acid or derivatives - Lactone - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic oxide - Organosulfur compound - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available