Structure Information
Structure

Compound Identification

SMILES

C[C@@]1(O)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=C

InChIKey

InChIKey=FTIDKIAZUNXNCJ-WBYQCALVSA-N

Formula

C21H30O9

Mass

426.462

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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 - Terpene glycoside - Guaiane sesquiterpenoid - Sesquiterpenoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Gamma butyrolactone - Monosaccharide - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Primary 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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