Structure Information
Structure

Compound Identification

SMILES

C\C=C(\COC(C)=O)C(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)C2=C)[C@@H]2[C@@H](C[C@H]3O[C@]23C)C(=C)[C@H]1O

InChIKey

InChIKey=JGHRVXZPUCLANB-NHFDHFCXSA-N

Formula

C22H26O8

Mass

418.442

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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 - Sesquiterpenoid - Guaiane sesquiterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Oxane - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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