Compound Identification
SMILES
COC(=O)C(F)(F)SC1=C(O)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=STRUXYZUMRGVLJ-UHFFFAOYSA-N
Formula
C12H8F2O5S
Mass
302.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 4-hydroxycoumarins
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Subclass
Hydroxycoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
4-hydroxycoumarins
Alternative Parents
1-benzopyrans Pyranones and derivatives Alkylarylthioethers Benzenoids Vinylogous acids Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Methyl esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - Benzopyran - 1-benzopyran - Aryl thioether - Pyranone - Alkylarylthioether - Pyran - Benzenoid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Vinylogous acid - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors
Not available