Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(\C=C2/[C@@H]3CC\C(C)=C\CC[C@@]4(C)O[C@H]4[C@H]3OC2=O)C=CC=C1F

InChIKey

InChIKey=APNSHNKQGAJRBX-UNASIDQKSA-N

Formula

C23H25FO5

Mass

400.446

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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

Germacranolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Aryl halide - Aryl fluoride - Enoate ester - Methyl ester - Vinylogous halide - Oxolane - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

External Descriptors

Not available

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