Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2O)[C@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=ZTMPDTJBTNGZJH-QMZLQNRASA-N

Formula

C21H28O9

Mass

424.446

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Hydroxycinnamic acid esters

Direct Parent

Coumaric acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Coumaric acid ester - Coumaric acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Primary alcohol - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.

External Descriptors

CHEBI:5534 : cinnamate ester

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