Structure Information
Structure

Compound Identification

SMILES

O[C@@]12COC3OCC[C@@H](CC1Cl)[C@@H]23

InChIKey

InChIKey=HYLRQTWCGVZFFU-IOXKEGPVSA-N

Formula

C9H13ClO3

Mass

204.65

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

Iridoid-skeleton - Furopyran - Pyran - Oxane - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Halohydrin - Chlorohydrin - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic heteropolycyclic 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

Previous Back Next