Structure Information
Structure

Compound Identification

SMILES

CC1CC(=O)C(CC(O)=O)[C@H]1C(C(=O)C(=O)NC1=C(Cl)C=CC(Cl)=C1)[N+]([O-])=O

InChIKey

InChIKey=ZCSJDMLHTYMQPU-MXIJQUQJSA-N

Formula

C17H16Cl2N2O7

Mass

431.22

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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

Aromatic homomonocyclic compounds

Substituents

Aromatic monoterpenoid - Monocyclic monoterpenoid - 11-noriridane monoterpenoid - Anilide - N-arylamide - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Fatty acyl - Aryl chloride - Fatty amide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Cyclic ketone - C-nitro compound - Secondary carboxylic acid amide - Ketone - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organochloride - Organic salt - Organohalogen compound - Organic cation - Aromatic 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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