Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O

InChIKey

InChIKey=OGYBSNRRBNHPNK-FTBFGRRBSA-N

Formula

C14H16O10

Mass

344.272

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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

Galloyl ester - Quinic acid - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Polyol - Carbonyl group - Organic oxide - 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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