Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1(C(O)=O)C(CC(O)=O)=C(C(=O)OC2=CCOC=C2)C(OC(C)=O)=CC1(OC(C)=O)C(O)=O

InChIKey

InChIKey=FEDVHRSXXZRCSS-UHFFFAOYSA-N

Formula

C23H22O15

Mass

538.414

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

Aliphatic heteromonocyclic compounds

Substituents

Quinic acid - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic 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

Previous Back Next