Compound Identification
SMILES
OC(=O)CCC(=O)C=CC1=C(O)C=CC(Cl)=C1
InChIKey
InChIKey=GHLBYWJOCMZWEN-UHFFFAOYSA-N
Formula
C12H11ClO4
Mass
254.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Styrenes P-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Halogenated fatty acids Hydroxy fatty acids Aryl chlorides Unsaturated fatty acids Enones Acryloyl compounds Ketones Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Medium-chain keto acid - Gamma-keto acid - 4-halophenol - 4-chlorophenol - Styrene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Halogenated fatty acid - Hydroxy fatty acid - Phenol - Benzenoid - Unsaturated fatty acid - Fatty acyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Keto acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available