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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=C(O)C=C1

InChIKey

InChIKey=ORHDSTMOGPRBMB-ADXUQXPMSA-N

Formula

C16H18O9

Mass

354.311

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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

Coumaric acid ester - Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Styrene - Beta-hydroxy acid - Phenol - Fatty acid ester - Cyclohexanol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Enoate ester - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Carboxylic acid - 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

Not available

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