Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1COC2OC[C@]3(O)C=C[C@H]1[C@H]23

InChIKey

InChIKey=OXHCWCWKXULCPL-CVJIJUKCSA-N

Formula

C11H14O5

Mass

226.228

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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 - Furopyran - Oxane - Pyran - Furan - Oxolane - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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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