Structure Information
Structure

Compound Identification

SMILES

OC1CC(CC(OC(=O)c2cc(O)c(O)c(O)c2)C1O)(OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O

InChIKey

InChIKey=FQNDJQJKZKQULP-UHFFFAOYSA-N

Formula

C21H20O14

Mass

496.377

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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 - Quinic acids and derivatives

Direct Parent

O-galloylquinic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

1-o-galloylquinic-acid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexanol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-galloylquinic acids and derivatives. These are compounds containing a galloic acid moiety, linked to one hydroxyl group of a quinic acid moiety.

External Descriptors

Not available

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