Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C[C@@](C[C@@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O

InChIKey

InChIKey=UTNZIIOILCFURH-DDBGFLLRSA-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 - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexanol - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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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