Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1CC(O)(C[C@@H](OC(C)=O)C1OC(C)=O)C(O)=O

InChIKey

InChIKey=FXWWMFHZMOLAAL-IXYVEGFRSA-N

Formula

C13H18O9

Mass

318.278

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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

Aliphatic homomonocyclic compounds

Substituents

Tetracarboxylic acid or derivatives - Quinic acid - Cyclohexanol - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic 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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