Structure Information
Structure

Compound Identification

SMILES

CCC(CC(C(=O)OC)C1=C(C=C(C#N)C(=C1)C#N)C#N)C(=O)OC

InChIKey

InChIKey=XFBAMVXOBLLQKN-UHFFFAOYSA-N

Formula

C18H17N3O4

Mass

339.351

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cyclofarsesane sesquiterpenoid - Sesquiterpenoid - P-cymene - Benzonitrile - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

External Descriptors

Not available

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