Compound Identification
SMILES
OC(=O)CSCC1CC(=O)OC2=CC(O)=C(O)C=C12
InChIKey
InChIKey=UQKMMDQNRAQDED-UHFFFAOYSA-N
Formula
C12H12O6S
Mass
284.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Lactone - Thioether - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Dialkylthioether - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available