Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1C(C(C)(C)O)C(C)(C)CC1=O

InChIKey

InChIKey=JYKHNGHPVZSTLH-UHFFFAOYSA-N

Formula

C12H20O3

Mass

212.289

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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

Aliphatic homomonocyclic compounds

Substituents

Monocyclic monoterpenoid - 11-noriridane monoterpenoid - 1,3-diketone - 1,3-dicarbonyl compound - Tertiary alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic 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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