Structure Information
Structure

Compound Identification

SMILES

CO[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@@H](O)[C@@]2(C)O

InChIKey

InChIKey=CBSFNBFNBQFAQG-ALWYBGAQSA-N

Formula

C21H34O11

Mass

462.492

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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 - Glycosyl compound - C-glycosyl compound - Bicyclic monoterpenoid - Ketal - Fatty acid ester - Fatty acyl - Oxane - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen 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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