Compound Identification
SMILES
CCOC1=C(O)C(Cl)=CC(\C=C(/C(C)=O)C(=O)OCCOC)=C1
InChIKey
InChIKey=HYAUHECKGGZEKM-KPKJPENVSA-N
Formula
C16H19ClO6
Mass
342.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
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
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Phenoxy compounds Phenol ethers O-chlorophenols Alkyl aryl ethers Beta-keto acids and derivatives Chlorobenzenes Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Enones Enoate esters Ketones Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenoxy compound - 2-halophenol - 2-chlorophenol - Phenol ether - Fatty acid ester - Halobenzene - Alkyl aryl ether - Chlorobenzene - Beta-keto acid - Phenol - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Keto acid - Aryl chloride - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available