Structure Information
Structure

Compound Identification

SMILES

C\C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@H](OC(=O)C2=C)[C@H]2[C@](C)(O)C=C[C@@]2(OO)[C@]1(C)O

InChIKey

InChIKey=TXADFCZCUCIAJZ-HNURMNRQSA-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

Guaianolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Gamma butyrolactone - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Hydroperoxide - Lactone - Carboxylic acid ester - Peroxol - Oxacycle - Alkyl hydroperoxide - Organoheterocyclic compound - Carboxylic acid derivative - 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 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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