Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)O[C@H]1C[C@](C)(OCC)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)[C@H](C)[C@H]2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O

InChIKey

InChIKey=QZUAOFNFNALOAC-KQTWZZSISA-N

Formula

C26H40O9

Mass

496.597

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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 - Tricarboxylic acid or derivatives - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - 1,2-diol - Carboxylic acid ester - Oxacycle - Ether - Dialkyl ether - 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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