Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)C=C1C(=O)OC

InChIKey

InChIKey=VUQJXZNNVAWIKZ-NGJRWZKOSA-N

Formula

C9H14O6

Mass

218.205

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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 - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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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