Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CO[C@@H](OCCl)[C@H]2[C@@H]1C=C[C@@]2(O)CO

InChIKey

InChIKey=AMQADLVYUXHHMK-NXNXALQLSA-N

Formula

C12H15ClO6

Mass

290.7

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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 - Tertiary alcohol - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - 1,2-diol - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl chloride - Primary alcohol - 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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