Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1C\C=C(CO)/C[C@@H](OC(=O)C(\C)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C

InChIKey

InChIKey=INXZZSZBRLXKNT-TYIOJNNHSA-N

Formula

C22H28O8

Mass

420.458

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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 - Sesquiterpenoid - Germacrane sesquiterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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

Not available

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