Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC=C(Cl)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=ROGJKLXFRUDIER-UDKWCLLRSA-N

Formula

C16H19ClO6

Mass

342.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

C-cinnamoyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

C-cinnamoyl glycoside - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Secondary alcohol - 1,2-diol - Ketone - Polyol - Dialkyl ether - Organoheterocyclic compound - Ether - Oxacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organochloride - Organohalogen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as c-cinnamoyl glycosides. These are c-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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