Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=IWODEDMZZHXMJY-UHEPVNHGSA-N

Formula

C15H17ClO3

Mass

280.75

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Sesquiterpene lactones

Direct Parent

Ambrosanolides and secoambrosanolides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Ambrosanolide - Pseudoguaiane sesquiterpenoid - Sesquiterpenoid - Gamma butyrolactone - Alpha-haloketone - Alpha-chloroketone - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Lactone - Vinyl chloride - Chloroalkene - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Vinyl halide - Haloalkene - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).

External Descriptors

Not available

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