Structure Information
Structure

Compound Identification

SMILES

O[C@H]1CO[C@@H]2OCC3=CC(=O)[C@H]1[C@H]23

InChIKey

InChIKey=HJOQALIQBARKHY-KDXUFGMBSA-N

Formula

C9H10O4

Mass

182.175

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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 heteropolycyclic compounds

Substituents

Iridoid-skeleton - Furopyran - Oxane - Pyran - Furan - Tetrahydrofuran - Secondary alcohol - Ketone - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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

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