Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=CC(=O)OC2CC(O)(CC(O)C2OS(O)(=O)=O)C(O)=O)=CC=C1O

InChIKey

InChIKey=ZXTBICIAPYUSCG-UHFFFAOYSA-N

Formula

C17H20O12S

Mass

448.4

Export to:

JSON SDF CSV

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 - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Alkyl aryl ether - Phenol - Alpha-hydroxy acid - Alkyl sulfate - Dicarboxylic acid or derivatives - Sulfuric acid ester - Benzenoid - Monocyclic benzene moiety - Sulfuric acid monoester - Fatty acyl - Hydroxy acid - Sulfate-ester - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Carboxylic acid - 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

Not available

Previous Back Next