Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=CC(=O)OC2CC(O)(CC(OP(O)(O)=O)C2O)C(O)=O)=CC=C1O

InChIKey

InChIKey=DDEYMLDGAHCLKV-UHFFFAOYSA-N

Formula

C17H21O12P

Mass

448.317

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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 - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Styrene - Monoalkyl phosphate - Alkyl aryl ether - Cyclohexanol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl phosphate - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Phosphoric acid ester - Benzenoid - Organic phosphoric acid derivative - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Carbonyl group - 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

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