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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C(CCC(=O)OC2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)C=C1

InChIKey

InChIKey=DGKHCFYFWCSFAJ-ULIZNUAHSA-N

Formula

C17H22O9

Mass

370.354

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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

Quinic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Quinic acid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Cyclohexanol - Fatty acid ester - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Ether - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.

External Descriptors

Not available

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