Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)OCC2=C(F)C=CC=C2Cl)C=C1
InChIKey
InChIKey=DTGLQXGCOUYXKW-UHFFFAOYSA-N
Formula
C18H16ClFO4
Mass
350.77
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
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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 Benzyloxycarbonyls Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Fluorobenzenes Fatty acid esters Chlorobenzenes Aryl chlorides Aryl fluorides Enoate esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Methoxybenzene - Styrene - Phenol ether - Phenoxy compound - Fatty acid ester - Chlorobenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Fatty acyl - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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