Structure Information
Structure

Compound Identification

SMILES

OC[C@@H]1CC(=O)[C@@H](CCOCC2=CC=CC=C2)[C@@H]1CC1CCCCO1

InChIKey

InChIKey=MQIFYWQURJQRMI-UMQXSMKFSA-N

Formula

C21H30O4

Mass

346.467

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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 heteromonocyclic compounds

Substituents

Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzylether - Monocyclic benzene moiety - Oxane - Benzenoid - Ketone - Cyclic ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic 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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