Structure Information
Structure

Compound Identification

SMILES

CO[C@@]12C[C@@H](C)[C@]34O[C@H]3C[C@@]3(C)O[C@@]43CC1=C(C)C(=O)O2

InChIKey

InChIKey=QHRGWKWECSOVCO-ODUDCCBKSA-N

Formula

C16H20O5

Mass

292.331

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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 - 1,4-dioxepane - Ketal - Dioxepane - 2-furanone - Oxane - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Acetal - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - 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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