Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=AVVMCQQTDTWJCI-AVTOBRDMSA-N

Formula

C21H32O11

Mass

460.476

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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 - Monosaccharide - Oxane - Methyl ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Primary 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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