Structure Information
Structure

Compound Identification

SMILES

C\C1=C/C[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1

InChIKey

InChIKey=FIWKABLFZLKCNG-TYMDXWQRSA-N

Formula

C21H30O9

Mass

426.462

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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 - Terpene glycoside - Germacrane sesquiterpenoid - Sesquiterpenoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Gamma butyrolactone - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Polyol - Organic oxide - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - 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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