Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=HYXLSBJETSSGIC-XETOPPSRSA-N

Formula

C22H30O7

Mass

406.475

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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 - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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