Compound Identification
SMILES
CC1=C(CC(=O)ON2C(=O)CCC2=O)C(=O)OC2=CC(N)=C(SOOO)C=C12
InChIKey
InChIKey=SXBNUGAJHJAOOC-UHFFFAOYSA-N
Formula
C16H14N2O9S
Mass
410.35
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 Pyranones and derivatives Pyrrolidine-2-ones Benzenoids Dicarboximides Heteroaromatic compounds Amino acids and derivatives Lactones Lactams Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Pyrrolidone - 2-pyrrolidone - Benzenoid - Heteroaromatic compound - Pyrrolidine - Dicarboximide - Amino acid or derivatives - Lactam - Lactone - Oxacycle - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Hydrocarbon derivative - 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