Structure Information
Structure

Compound Identification

SMILES

CC1C2C(CC1=O)C(=C)CC(O)C1C(C[Se]C3=CC=CC=C3)C(=O)OC21

InChIKey

InChIKey=LLSJEPYVYIJCSJ-UHFFFAOYSA-N

Formula

C21H24O4Se

Mass

419.39

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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

Guaianolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Cyclic ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Selenoether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organoselenium compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

External Descriptors

Not available

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