Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=FMAZQVIVMZPRBB-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 - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Styrene - Phenol - Monoalkyl phosphate - Fatty acid ester - Alkyl aryl ether - Cyclohexanol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Benzenoid - Phosphoric acid ester - Organic phosphoric acid derivative - Fatty acyl - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - 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

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