Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OC[C@H]2O[C@H](O[C@@]3(COC(=O)\C=C\C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C=C4)[C@@H](O)[C@@H]3OC(=O)\C=C\C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)=C1

InChIKey

InChIKey=ALSDWGAQQGXOHC-LMXPHSKJSA-N

Formula

C49H48O20

Mass

956.903

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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

Tetracarboxylic acid or derivatives - Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - C-glycosyl compound - Methoxyphenol - Phenol ether - Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxolane - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen 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

Not available

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