Structure Information
Structure

Compound Identification

SMILES

CCCCCC[C@@H](OC(=S)N1C=CN=C1)[C@@H]1OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C12

InChIKey

InChIKey=JTKYLOCAYNWHIO-ILFWFZRHSA-N

Formula

C40H40N2O6S

Mass

676.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives

Direct Parent

Gallic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Gallic acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.

External Descriptors

Not available

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