Structure Information
Structure

Compound Identification

SMILES

CC(C)(OC(=O)C1=CC(O)C(O)C(O)C1)C1CC23OCOC2(CC(=O)C(CC=C)=C3)O1

InChIKey

InChIKey=POKJSEWCYKOUNM-UHFFFAOYSA-N

Formula

C22H28O9

Mass

436.457

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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 heteropolycyclic compounds

Substituents

Shikimic acid or derivatives - Ketal - Cyclohexenone - Meta-dioxolane - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Secondary alcohol - Cyclic ketone - Polyol - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic 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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