Structure Information
Structure

Compound Identification

SMILES

CCCCC[C@@H]1[C@@H](CC(O)=O)CC(=CC2=CC=C(Br)C=C2)C1=O

InChIKey

InChIKey=ITQIFTCSKNMRIM-RHSMWYFYSA-N

Formula

C19H23BrO3

Mass

379.294

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Lineolic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Jasmonic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Jasmonic acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclic ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety.

External Descriptors

Not available

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