Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1OC[C@@H]2[C@](C)(O)[C@@H](O)C[C@]2(C=C)C1C

InChIKey

InChIKey=SKQYSQSUGUALJS-ZIBUBQQJSA-N

Formula

C13H22O3

Mass

226.316

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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 heteropolycyclic compounds

Substituents

Iridoid-skeleton - Bicyclic monoterpenoid - Oxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic 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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