Compound Identification
SMILES
CCOC(=O)\C=C(/C)C1=CC(OCC2=CC=CC=C2)=CC(OS(=O)(=O)C(F)(F)F)=C1
InChIKey
InChIKey=DWQAZWMQDVMNNZ-NTEUORMPSA-N
Formula
C20H19F3O6S
Mass
444.42
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 Phenylpropenes Trifluoromethanesulfonates Phenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers Fatty acid esters Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Enoate esters Sulfonyls Trihalomethanes Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenylpropene - Phenoxy compound - Trifluoromethanesulfonate - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Trihalomethane - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Halomethane - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - 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