Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](O)OC=C2C=O

InChIKey

InChIKey=HCUMZOSVWFIXEQ-CEWVUARQSA-N

Formula

C10H14O4

Mass

198.218

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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 - Bicyclic monoterpenoid - Cyclic alcohol - Vinylogous ester - Hemiacetal - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - 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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