Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCC(CC2=C(C)C(=O)CC12)C(=C)C(O)=O

InChIKey

InChIKey=ZFHSKBJBODQVBX-RKWZHAFESA-N

Formula

C15H20O3

Mass

248.322

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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

Guaianes

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.

External Descriptors

Not available

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