Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(O)C[C@](O)(C[C@@]([H])(OC(=O)C=CC2=CC=C(O)C=C2)[C@]1([H])O)C(O)=O

InChIKey

InChIKey=BMRSEYFENKXDIS-NCZKRNLISA-N

Formula

C16H18O8

Mass

338.312

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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

Coumaric acid ester - Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Styrene - Phenol - Fatty acid ester - Cyclohexanol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Dicarboxylic acid or derivatives - Enoate ester - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - 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

CHEBI:75500 : cinnamate ester - cyclitol carboxylic acid

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