Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1(CC1[C@@]1(C[C@@H](C[C@H]1COC1=CC=C(F)C=C1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1)C(O)=O)C#N

InChIKey

InChIKey=OMXOIVDYOSZVDN-VELPVOGXSA-N

Formula

C24H21ClF2N2O6S

Mass

538.95

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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 - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Sulfonyl - Sulfone - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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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