Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@H]2[C@@H](C1)OC(=O)C2=C)OC(C)=O

InChIKey

InChIKey=HBRKQMNFEIZZOU-AGKHZPTMSA-N

Formula

C21H28O7

Mass

392.448

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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

Aliphatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Tricarboxylic acid or derivatives - Alpha-acyloxy ketone - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic 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

CHEBI:66602 : cyclic ketone - acetate ester - germacranolide

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