Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(O)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O[C@@H]3O[C@H](COC(=O)CC4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12

InChIKey

InChIKey=KAQPATNEOPHOGD-NBITYMKOSA-N

Formula

C35H44O13

Mass

672.724

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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

Aromatic heteropolycyclic compounds

Substituents

Terpene glycoside - Guaianolide-skeleton - Sesquiterpenoid - Guaiane sesquiterpenoid - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Gamma butyrolactone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic 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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