Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C[C@@](O)(C=C([C@H]1O)C1=CC(=CC=C1)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=AZKBVJLQNQFBRJ-WZRBSPASSA-N

Formula

C13H13NO7

Mass

295.247

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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 - Nitrobenzene - Nitroaromatic compound - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Tertiary alcohol - Organic nitro compound - Secondary alcohol - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Polyol - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - 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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