Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](S\C(CC(OC(=O)CC2C(=O)NC3=CC=CC=C23)C=C)=N/OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=NTDBYDWMVLRHLG-VZNBBYLBSA-N

Formula

C21H26N2O12S2

Mass

562.56

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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

Monosaccharides - Hexoses - Glucosinolates

Direct Parent

Alkylglucosinolates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Indole or derivatives - Dihydroindole - Benzenoid - Oxane - Monothioacetal - Organic sulfuric acid or derivatives - 1,2-diol - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Polyol - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.

External Descriptors

Not available

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