Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](S\C(CC2=CN(C3=CC=CC=C23)S([O-])(=O)=O)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=JZFQZINWXSEVSO-STPBKMPXSA-L

Formula

C16H18N2O12S3

Mass

526.5

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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 - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Monothioacetal - Organic sulfuric acid or derivatives - Pyrrole - 1,2-diol - Secondary alcohol - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Primary alcohol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - 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

Not available

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