Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)=C1

InChIKey

InChIKey=RAGZUCNPTLULOL-KJJWLSQTSA-N

Formula

C17H20O9

Mass

368.338

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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 - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Carboxylic acid - Ether - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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

CHEBI:86388 : enoate ester - quinic acid

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