Compound Identification
SMILES
C[C@H](O)C[C@@H](O)[C@@H](SC[C@@H](O)C([O-])=O)[C@@H](O)\C=C\CC1=CC2=C(C(=O)O1)C(O)=CC(O)=C2Cl
InChIKey
InChIKey=FPVBBVVUNGUARZ-CFXIRDRKSA-M
Formula
C21H24ClO10S
Mass
503.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Halophenols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Aryl chlorides Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Lactones Sulfenyl compounds Polyols Oxacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - 4-halophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Aryl halide - Monosaccharide - Aryl chloride - Pyran - Vinylogous acid - Heteroaromatic compound - Carboxylic acid salt - Lactone - Secondary alcohol - Dialkylthioether - Thioether - Polyol - Carboxylic acid derivative - Oxacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Alcohol - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available