Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O)[C@H]1Cl

InChIKey

InChIKey=AEDMWQPFIPNFCS-ZTYPAOSTSA-N

Formula

C8H11ClO5

Mass

222.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Alcohols and polyols

Intermediate Tree Nodes

Cyclic alcohols and derivatives - Cyclitols and derivatives

Direct Parent

Shikimic acids and derivatves

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Shikimic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl halide - Organohalogen compound - Organochloride - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as shikimic acids and derivatves. These are cyclitols containing a cyclohexanecarboxylic acid substituted with three hydroxyl groups at positions 3, 4, and 5.

External Descriptors

Not available

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