Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)C2=CC(OC)=C(O)C(OC)=C2)[C@@H](C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=NJQRNAMEYKKLLB-KUIMDDQMSA-N

Formula

C26H28O13

Mass

548.497

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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 - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Gallic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Anisole - Methoxybenzene - Catechol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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