Structure Information
Structure

Compound Identification

SMILES

C[C@@]1(CCC[C@H]1COS(C)(=O)=O)[C@@]1(C)CCCC[C@@H]1OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=QKVKNOMQLZXVRX-LGGPRVQUSA-N

Formula

C22H32O5S

Mass

408.55

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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 - Benzoate ester - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - 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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