Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H]2CCC(C)=CCC\C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C\[C@H]2OC1=O

InChIKey

InChIKey=AXHWCLOONAGWJC-XKTRWACDSA-N

Formula

C21H32O8

Mass

412.479

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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 - Oxane - Monosaccharide - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - 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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