Compound Identification
SMILES
NC1=C(C2=C(C=C1)C1=C(CCC1C(CC(O)=O)S(O)(=O)=O)C(=O)O2)S(O)(=O)=O
InChIKey
InChIKey=AGBCUECPFXVWOM-UHFFFAOYSA-N
Formula
C15H15NO10S2
Mass
433.4
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 Arylsulfonic acids and derivatives Thia fatty acids Pyranones and derivatives Benzenoids Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Amino acids Lactones Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Arylsulfonic acid or derivatives - Pyranone - Thia fatty acid - Pyran - Fatty acyl - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Alkanesulfonic acid - Amino acid or derivatives - Amino acid - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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