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Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=C(O)C(O)=C(O)C=C2)[C@@H]1O)C(O)=O

InChIKey

InChIKey=AAISQEJQSKDCMA-VIPXRNMVSA-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 - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - 5-unsubstituted pyrrogallol - Benzenetriol - Pyrogallol derivative - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Hydroxy acid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic oxide - Hydrocarbon derivative - 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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