Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=XNFZJASXPNFCQW-CEJIZLNCSA-N

Formula

C21H28O9

Mass

424.446

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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 - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Carbonyl group - Alcohol - 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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