Structure Information
Structure

Compound Identification

SMILES

CC1OC1(CO)C(=O)OC1CC(C)=CC(O)CC(C)=CC2OC(=O)C(=C)C12

InChIKey

InChIKey=ZKDMWKFVIHFIKW-UHFFFAOYSA-N

Formula

C20H26O7

Mass

378.421

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