Compound Identification
SMILES
CC1=C(CC(O)CCl)C(=O)OC2=CC(O)=CC=C12
InChIKey
InChIKey=GNVHLOFSNCLFPL-UHFFFAOYSA-N
Formula
C13H13ClO4
Mass
268.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
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Subclass
Hydroxycoumarins
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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
7-hydroxycoumarins
Alternative Parents
1-benzopyrans Fatty acid esters Dihydropyranones 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Enol esters Enoate esters Secondary alcohols Lactones Chlorohydrins Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Fatty acid ester - Dihydropyranone - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Secondary alcohol - Lactone - Halohydrin - Chlorohydrin - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available