Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@H](O1)N1C=C(CC#N)C2=C1C=CC=C2OC

InChIKey

InChIKey=HTFYSSZLIDVAIP-QCPWZWHMSA-N

Formula

C18H20N2O6

Mass

360.366

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides

Direct Parent

N-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-glucuronide - Glycosyl compound - N-glycosyl compound - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Pyran - Substituted pyrrole - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Carbonitrile - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Cyanide - Carbonyl group - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.

External Descriptors

Not available

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