Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12

InChIKey

InChIKey=MOYXNJHXWIYEQO-KSKIZGMASA-N

Formula

C21H28O8

Mass

408.447

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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

Ambrosanolides and secoambrosanolides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Ambrosanolide - Pseudoguaiane sesquiterpenoid - Sesquiterpenoid - Tetracarboxylic acid or derivatives - Gamma butyrolactone - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).

External Descriptors

Not available

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