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Structure Information
Structure

Compound Identification

SMILES

CC1C2C3OC(=O)C(=C)C3CCC2(C)CC(Br)C1=O

InChIKey

InChIKey=KPZLRBLESJUMQO-UHFFFAOYSA-N

Formula

C15H19BrO3

Mass

327.218

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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

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Eudesmanolide - Sesquiterpenoid - Naphthofuran - Gamma butyrolactone - Alpha-haloketone - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Organic oxide - Organohalogen compound - Organobromide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

External Descriptors

Not available

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