Structure Information
Structure

Compound Identification

SMILES

CC(C)CC(=O)O[C@H]1OC=C(CO)[C@@H]2C[C@@H](OC(=O)\C=C\C3=CC=C(O)C=C3)[C@](O)(CO)[C@H]12

InChIKey

InChIKey=RJHVTZAZDRWBJX-SETJXSHSSA-N

Formula

C24H30O9

Mass

462.495

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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 heteropolycyclic compounds

Substituents

Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - Iridoid-skeleton - Monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic 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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