Structure Information
Structure

Compound Identification

SMILES

[H]\C(CO)=C(\C)C(=O)O[C@]1([H])C\C(CO)=C([H])\CC\C(COC(C)=O)=C([H])/[C@@]2([H])OC(=O)C(=C)[C@]12[H]

InChIKey

InChIKey=HHADEQZTJCWSAJ-TXMKQPJXSA-N

Formula

C22H28O8

Mass

420.458

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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 - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Primary alcohol - 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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