Structure Information
Structure

Compound Identification

SMILES

C\C1=C/C2OC(=O)C(=C)C2CC\C(=C\CC1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=SIOXYUXOHTZOOM-LDLHCLSHSA-N

Formula

C21H28O9

Mass

424.446

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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

Aliphatic heteropolycyclic compounds

Substituents

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