Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1([C@H](C)CC=O)[C@H](C)CCC1=O

InChIKey

InChIKey=YDTYKIBPIUFUMF-LNLATYFQSA-N

Formula

C12H18O4

Mass

226.272

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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

11-noriridane monoterpenoid - Monocyclic monoterpenoid - Fatty acid ester - Fatty acyl - Alpha-hydrogen aldehyde - Methyl ester - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Aldehyde - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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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