Structure Information
Structure

Compound Identification

SMILES

C[C@@]12[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@H]3CO[C@H](CC1=O)[C@]23O

InChIKey

InChIKey=FMMLMVQJDDLENY-IUYSZMJMSA-N

Formula

C15H18O5

Mass

278.304

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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

Ambrosanolides and secoambrosanolides

Alternative Parents

Sesquiterpenoids Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Enoate esters Ketones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Secoambrosanolide - Sesquiterpenoid - Gamma butyrolactone - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).

External Descriptors

CHEBI:3850 : sesquiterpene lactone
KEGG (C09363) : pseudoguaianolide

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