Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1([C@@H](CC[C@@H]1C=C)C=C)C1=CC=CC=C1)C(=O)OC

InChIKey

InChIKey=GTTKZIBVUDMGJY-GWTOYCKXSA-N

Formula

C21H26O4

Mass

342.435

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Iridoids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

External Descriptors

Not available

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