Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C(CCCl)C(CC1C(O)=O)C(O)=O

InChIKey

InChIKey=HOVDXXJPTODACJ-UHFFFAOYSA-N

Formula

C11H15ClO6

Mass

278.69

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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 - Tricarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - 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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