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Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C[C@@](C[C@@H](OC(=O)C2=C(N=NS2)C2=CC=CC=C2)[C@@H]1O)(OCCCC1=CC=C(Cl)C=C1)C(O)=O

InChIKey

InChIKey=WJKBWVYTVHLQSX-JDFHOKRYSA-N

Formula

C25H25ClN2O7S

Mass

532.99

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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 heteromonocyclic compounds

Substituents

Quinic acid - Chlorobenzene - Cyclohexanol - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Azole - Thiadiazole - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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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