Structure Information
Structure

Compound Identification

SMILES

CC(O)(CO)C(=O)OC1CC(=C)C2CC(O)C(O)(CCl)C2C2OC(=O)C(=C)C12

InChIKey

InChIKey=MMJRTQVKSDYEAG-UHFFFAOYSA-N

Formula

C19H25ClO8

Mass

416.85

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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 - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - 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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