Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(O)C(O)C(O)C1Oc1c2C(=O)C3(Oc2c(Cl)c(C)c1Cl)C(OC)=CC(=O)C=C3C(=O)OC

InChIKey

InChIKey=LNGFWDFUPRZMJI-UHFFFAOYSA-N

Formula

C25H22Cl2O12

Mass

585.34

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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

Aromatic heteropolycyclic compounds

Substituents

Shikimic acid or derivatives - Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Cyclic ketone - Ketone - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Oxacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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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