Structure Information
Structure

Compound Identification

SMILES

CCCC1C(C2C(CO)CC(COC(C)=O)C2C1=O)C1=CC=CC=C1

InChIKey

InChIKey=UKZSIGVSVSAPDG-UHFFFAOYSA-N

Formula

C21H28O4

Mass

344.451

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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 homopolycyclic compounds

Substituents

Aromatic monoterpenoid - Bicyclic monoterpenoid - 11-noriridane monoterpenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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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