Structure Information
Structure

Compound Identification

SMILES

C[C@@]12C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]3[C@H](OC(=O)C3=C)\C=C(CO)\CC[C@H]1O2

InChIKey

InChIKey=CSXOADPFGUPHSR-HGMVJNCCSA-N

Formula

C20H26O8

Mass

394.42

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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 - Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Gamma butyrolactone - Fatty acyl - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Secondary alcohol - Carboxylic acid ester - Lactone - 1,2-diol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxide - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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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