Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](SC(CC2=CNC3=CC=CC=C23)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=DNDNWOWHUWNBCK-JZYAIQKZSA-M

Formula

C16H19N2O9S2

Mass

447.45

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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 - 3-alkylindole - Indole - Indole or derivatives - Oxane - Substituted pyrrole - Benzenoid - Monothioacetal - Organic sulfuric acid or derivatives - Heteroaromatic compound - Pyrrole - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Polyol - Sulfenyl compound - Alcohol - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organic anion - 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

CHEBI:64962 : indolylmethylglucosinolate

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