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Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@@H](C[C@](O)([C@H](O)[C@H]1O)C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=IKEKJTKEYPZOMF-KMIXTTHGSA-N

Formula

C16H18O10

Mass

370.31

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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 - Catechol - Styrene - Cyclohexanol - Fatty acid ester - Beta-hydroxy acid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alpha-hydroxy acid - Benzenoid - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Hydroxy acid - Enoate ester - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Carboxylic acid - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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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